| Year |
Citation |
Score |
| 2023 |
Salmaso V, Persico M, Da Ros T, Spalluto G, Kachler S, Klotz KN, Moro S, Federico S. Pyrazolo-triazolo-pyrimidine Scaffold as a Molecular Passepartout for the Pan-Recognition of Human Adenosine Receptors. Biomolecules. 13. PMID 38002292 DOI: 10.3390/biom13111610 |
0.405 |
|
| 2023 |
Federico S, Persico M, Trevisan L, Biasinutto C, Bolcato G, Salmaso V, Da Ros T, Gianferrara T, Prencipe F, Kachler S, Klotz KN, Pacor S, Moro S, Spalluto G. [1,2,4]Triazolo[1,5-c]pyrimidines as Tools to Investigate A3 Adenosine Receptors in Cancer Cell Lines. Chemmedchem. e202300299. PMID 37675643 DOI: 10.1002/cmdc.202300299 |
0.327 |
|
| 2023 |
Spinaci A, Buccioni M, Catarzi D, Cui C, Colotta V, Dal Ben D, Cescon E, Francucci B, Grieco I, Lambertucci C, Marucci G, Bassani D, Pavan M, Varano F, Federico S, ... ... Moro S, et al. "Dual Anta-Inhibitors" of the A Adenosine Receptor and Casein Kinase CK1delta: Synthesis, Biological Evaluation, and Molecular Modeling Studies. Pharmaceuticals (Basel, Switzerland). 16. PMID 37259317 DOI: 10.3390/ph16020167 |
0.396 |
|
| 2023 |
Gianferrara T, Pavan M, Bassani D, Vincenzi F, Pasquini S, Bolcato G, Varani K, Spalluto G, Federico S, Moro S. Are Two Riboses Better Than One? The Case of the Recognition and Activation of Adenosine Receptors. Chemmedchem. e202300109. PMID 37114338 DOI: 10.1002/cmdc.202300109 |
0.384 |
|
| 2022 |
Bolcato G, Pavan M, Bassani D, Sturlese M, Moro S. Ribose and Non-Ribose A2A Adenosine Receptor Agonists: Do They Share the Same Receptor Recognition Mechanism? Biomedicines. 10. PMID 35203724 DOI: 10.3390/biomedicines10020515 |
0.374 |
|
| 2021 |
Besada P, Viña D, Costas T, Costas-Lago MC, Vila N, Torres-Terán I, Sturlese M, Moro S, Terán C. Pyridazinones containing dithiocarbamoyl moieties as a new class of selective MAO-B inhibitors. Bioorganic Chemistry. 115: 105203. PMID 34371375 DOI: 10.1016/j.bioorg.2021.105203 |
0.689 |
|
| 2021 |
Federico S, Margiotta E, Moro S, Kachler S, Klotz KN, Spalluto G. Potent and selective A adenosine receptor antagonists bearing aminoesters as heterobifunctional moieties. Rsc Medicinal Chemistry. 12: 254-262. PMID 34046614 DOI: 10.1039/d0md00380h |
0.425 |
|
| 2020 |
Rodríguez-Enríquez F, Costas-Lago MC, Besada P, Alonso-Pena M, Torres-Terán I, Viña D, Fontenla JÁ, Sturlese M, Moro S, Quezada E, Terán C. Novel coumarin-pyridazine hybrids as selective MAO-B inhibitors for the Parkinson's disease therapy. Bioorganic Chemistry. 104: 104203. PMID 32932120 DOI: 10.1016/J.Bioorg.2020.104203 |
0.696 |
|
| 2020 |
Pineux F, Federico S, Klotz KN, Kachler S, Michiels C, Sturlese M, Prato M, Spalluto G, Moro S, Bonifazi D. Targeting G protein-coupled receptors with magnetic carbon nanotubes: The A3 adenosine receptor case. Chemmedchem. PMID 32706529 DOI: 10.1002/Cmdc.202000466 |
0.405 |
|
| 2020 |
Bissaro M, Sturlese M, Moro S. The rise of molecular simulations in fragment-based drug design (FBDD): an overview. Drug Discovery Today. PMID 32592867 DOI: 10.1016/J.Drudis.2020.06.023 |
0.358 |
|
| 2020 |
Cescon E, Bolcato G, Federico S, Bissaro M, Valentini A, Ferlin MG, Spalluto G, Sturlese M, Moro S. Scaffold Repurposing of in-House Chemical Library toward the Identification of New Casein Kinase 1 δ Inhibitors. Acs Medicinal Chemistry Letters. 11: 1168-1174. PMID 32550997 DOI: 10.1021/Acsmedchemlett.0C00028 |
0.333 |
|
| 2020 |
Jiménez-Luna J, Cuzzolin A, Bolcato G, Sturlese M, Moro S. A Deep-Learning Approach toward Rational Molecular Docking Protocol Selection. Molecules (Basel, Switzerland). 25. PMID 32471211 DOI: 10.3390/Molecules25112487 |
0.337 |
|
| 2020 |
Bolcato G, Bissaro M, Deganutti G, Sturlese M, Moro S. New Insights into Key Determinants for Adenosine 1 Receptor Antagonists Selectivity Using Supervised Molecular Dynamics Simulations. Biomolecules. 10. PMID 32392873 DOI: 10.3390/biom10050732 |
0.38 |
|
| 2020 |
Bissaro M, Sturlese M, Moro S. Exploring the RNA-Recognition Mechanism Using Supervised Molecular Dynamics (SuMD) Simulations: Toward a Rational Design for Ribonucleic-Targeting Molecules? Frontiers in Chemistry. 8: 107. PMID 32175307 DOI: 10.3389/Fchem.2020.00107 |
0.335 |
|
| 2020 |
Deganutti G, Moro S, Reynolds CA. A Supervised Molecular Dynamics Approach to Unbiased Ligand-Protein Unbinding. Journal of Chemical Information and Modeling. PMID 32126172 DOI: 10.1021/Acs.Jcim.9B01094 |
0.477 |
|
| 2020 |
Margiotta E, van der Lubbe SCC, de Azevedo Santos L, Paragi G, Moro S, Bickelhaupt FM, Fonseca Guerra C. Halogen Bonds in Ligand-Protein Systems: Molecular Orbital Theory for Drug Design. Journal of Chemical Information and Modeling. PMID 32003997 DOI: 10.1021/Acs.Jcim.9B00946 |
0.322 |
|
| 2019 |
Federico S, Margiotta E, Moro S, Kozma E, Gao ZG, Jacobson KA, Spalluto G. Conjugable A adenosine receptor antagonists for the development of functionalized ligands and their use in fluorescent probes. European Journal of Medicinal Chemistry. 111886. PMID 31787357 DOI: 10.1016/J.Ejmech.2019.111886 |
0.592 |
|
| 2019 |
De Filippo E, Hinz S, Pellizzari V, Deganutti G, El-Tayeb A, Navarro G, Franco R, Moro S, Schiedel AC, Müller CE. A and A adenosine receptors: the extracellular loop 2 determines high (A) or low affinity (A) for adenosine. Biochemical Pharmacology. 113718. PMID 31751537 DOI: 10.1016/J.Bcp.2019.113718 |
0.484 |
|
| 2019 |
Federico S, Margiotta E, Paoletta S, Kachler S, Klotz KN, Jacobson KA, Pastorin G, Moro S, Spalluto G. Pyrazolo[4,3-][1,2,4]triazolo[1,5-]pyrimidines to develop functionalized ligands to target adenosine receptors: fluorescent ligands as an example. Medchemcomm. 10: 1094-1108. PMID 31391881 DOI: 10.1039/C9Md00014C |
0.608 |
|
| 2019 |
Bissaro M, Bolcato G, Deganutti G, Sturlese M, Moro S. Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A Adenosine Receptor: Insights from Supervised Molecular Dynamics (SuMD) Simulations. Molecules (Basel, Switzerland). 24. PMID 31362426 DOI: 10.3390/Molecules24152752 |
0.447 |
|
| 2019 |
Bolcato G, Cuzzolin A, Bissaro M, Moro S, Sturlese M. Can We Still Trust Docking Results? An Extension of the Applicability of DockBench on PDBbind Database. International Journal of Molecular Sciences. 20. PMID 31330841 DOI: 10.3390/Ijms20143558 |
0.34 |
|
| 2019 |
Bortolozzi R, Carta D, Prà MD, Antoniazzi G, Mattiuzzo E, Sturlese M, Di Paolo V, Calderan L, Moro S, Hamel E, Quintieri L, Ronca R, Viola G, Ferlin MG. Evaluating the effects of fluorine on biological properties and metabolic stability of some antitubulin 3-substituted 7-phenyl-pyrroloquinolinones. European Journal of Medicinal Chemistry. 178: 297-314. PMID 31195171 DOI: 10.1016/J.Ejmech.2019.05.092 |
0.337 |
|
| 2019 |
Panday SK, Sturlese M, Salmaso V, Ghosh I, Moro S. Coupling Supervised Molecular Dynamics (SuMD) with Entropy Estimations To Shine Light on the Stability of Multiple Binding Sites. Acs Medicinal Chemistry Letters. 10: 444-449. PMID 30996777 DOI: 10.1021/Acsmedchemlett.8B00490 |
0.361 |
|
| 2019 |
Deganutti G, Moro S, Reynolds CA. Peeking at G-protein-coupled receptors through the molecular dynamics keyhole. Future Medicinal Chemistry. PMID 30888844 DOI: 10.4155/Fmc-2018-0393 |
0.365 |
|
| 2019 |
Margiotta E, Moro S. A Comparison in the Use of the Crystallographic Structure of the Human A1 or the A2A Adenosine Receptors as a Template for the Construction of a Homology Model of the A3 Subtype Applied Sciences. 9: 821. DOI: 10.3390/App9050821 |
0.414 |
|
| 2018 |
Margiotta E, Deganutti G, Moro S. Could the presence of sodium ion influence the accuracy and precision of the ligand-posing in the human A adenosine receptor orthosteric binding site using a molecular docking approach? Insights from Dockbench. Journal of Computer-Aided Molecular Design. PMID 30361971 DOI: 10.1007/S10822-018-0174-2 |
0.453 |
|
| 2018 |
Bissaro M, Federico S, Salmaso V, Sturlese M, Spalluto G, Moro S. Targeting protein kinase CK1δ with Riluzole: could it be one of the possible missing bricks to interpret its effect in the treatment of ALS from a molecular point of view? Chemmedchem. PMID 30359484 DOI: 10.1002/Cmdc.201800632 |
0.301 |
|
| 2018 |
Salmaso V, Moro S. Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview. Frontiers in Pharmacology. 9: 923. PMID 30186166 DOI: 10.3389/Fphar.2018.00923 |
0.366 |
|
| 2018 |
Federico S, Margiotta E, Salmaso V, Pastorin G, Kachler S, Klotz KN, Moro S, Spalluto G. [1,2,4]Triazolo[1,5-c]pyrimidines as adenosine receptor antagonists: Modifications at the 8 position to reach selectivity towards A adenosine receptor subtype. European Journal of Medicinal Chemistry. 157: 837-851. PMID 30144700 DOI: 10.1016/J.Ejmech.2018.08.042 |
0.507 |
|
| 2018 |
Pandya AN, Baraiya AB, Jalani HB, Pandya D, Kaila JC, Kachler S, Salmaso V, Moro S, Klotz KN, Vasu KK. Discovery of 2-aminoimidazole and 2-amino imidazolyl-thiazoles as non-xanthine human adenosine A receptor antagonists: SAR and molecular modeling studies. Medchemcomm. 9: 676-684. PMID 30108958 DOI: 10.1039/C7Md00643H |
0.5 |
|
| 2018 |
Sabbadin D, Salmaso V, Sturlese M, Moro S. Supervised Molecular Dynamics (SuMD) Approaches in Drug Design. Methods in Molecular Biology (Clifton, N.J.). 1824: 287-298. PMID 30039414 DOI: 10.1007/978-1-4939-8630-9_17 |
0.46 |
|
| 2018 |
Sabbadin D, Salmaso V, Sturlese M, Moro S. Supervised Molecular Dynamics (SuMD) Approaches in Drug Design. Methods in Molecular Biology (Clifton, N.J.). 1824: 287-298. PMID 30039414 DOI: 10.1007/978-1-4939-8630-9_17 |
0.354 |
|
| 2018 |
Deganutti G, Salmaso V, Moro S. Could Adenosine Recognize its Receptors with a Stoichiometry Other than 1 : 1? Molecular Informatics. PMID 29673107 DOI: 10.1002/Minf.201800009 |
0.487 |
|
| 2018 |
Bortolozzi R, Mattiuzzo E, Dal Pra M, Sturlese M, Moro S, Hamel E, Carta D, Viola G, Ferlin MG. Targeting tubulin polymerization by novel 7-aryl-pyrroloquinolinones: Synthesis, biological activity and SARs. European Journal of Medicinal Chemistry. 143: 244-258. PMID 29197729 DOI: 10.1016/J.Ejmech.2017.11.038 |
0.364 |
|
| 2018 |
Deganutti G, Salmaso V, Moro S. Cover Picture: Could Adenosine Recognize its Receptors with a Stoichiometry Other than 1 : 1? (Mol. Inf. 8/2018) Molecular Informatics. 37: 1880801. DOI: 10.1002/Minf.201880801 |
0.436 |
|
| 2017 |
Malvacio I, Cuzzolin A, Sturlese M, Vera DMA, Moyano EL, Moro S. Synthesis and preliminary structure-activity relationship study of 2-aryl-2H-pyrazolo[4,3-c]quinolin-3-ones as potential checkpoint kinase 1 (Chk1) inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry. 33: 171-183. PMID 29210298 DOI: 10.1080/14756366.2017.1404592 |
0.332 |
|
| 2017 |
Cuzzolin A, Deganutti G, Salmaso V, Sturlese M, Moro S. AquaMMapS: an alternative tool to monitor the role of water molecules during protein-ligand association. Chemmedchem. PMID 29193885 DOI: 10.1002/Cmdc.201700564 |
0.368 |
|
| 2017 |
Bertini S, Ghilardi E, Asso V, Minutolo F, Rapposelli S, Digiacomo M, Saccomanni G, Salmaso V, Sturlese M, Moro S, Macchia M, Manera C. Sulfonamido-derivatives of unsubstituted carbazoles as BACE1 inhibitors. Bioorganic & Medicinal Chemistry Letters. 27: 4812-4816. PMID 28993050 DOI: 10.1016/J.Bmcl.2017.09.058 |
0.345 |
|
| 2017 |
Salmaso V, Sturlese M, Cuzzolin A, Moro S. Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2. Journal of Computer-Aided Molecular Design. PMID 28840418 DOI: 10.1007/S10822-017-0051-4 |
0.374 |
|
| 2017 |
Deganutti G, Welihinda A, Moro S. Comparison of the Human A2A Adenosine Receptor Recognition by Adenosine and Inosine: New Insights from Supervised Molecular Dynamics Simulations. Chemmedchem. PMID 28517175 DOI: 10.1002/Cmdc.201700200 |
0.431 |
|
| 2017 |
Deganutti G, Moro S. Supporting the Identification of Novel Fragment-Based Positive Allosteric Modulators Using a Supervised Molecular Dynamics Approach: A Retrospective Analysis Considering the Human A2A Adenosine Receptor as a Key Example. Molecules (Basel, Switzerland). 22. PMID 28509867 DOI: 10.3390/Molecules22050818 |
0.473 |
|
| 2017 |
Deganutti G, Moro S. Estimation of kinetic and thermodynamic ligand-binding parameters using computational strategies. Future Medicinal Chemistry. PMID 28362130 DOI: 10.4155/Fmc-2016-0224 |
0.353 |
|
| 2017 |
Squarcialupi L, Betti M, Catarzi D, Varano F, Falsini M, Ravani A, Pasquini S, Vincenzi F, Salmaso V, Sturlese M, Varani K, Moro S, Colotta V. The role of 5-arylalkylamino- and 5-piperazino- moieties on the 7-aminopyrazolo[4,3-d]pyrimidine core in affecting adenosine A1 and A2A receptor affinity and selectivity profiles. Journal of Enzyme Inhibition and Medicinal Chemistry. 32: 248-263. PMID 28114825 DOI: 10.1080/14756366.2016.1247060 |
0.48 |
|
| 2016 |
Carta D, Bortolozzi R, Sturlese M, Salmaso V, Hamel E, Basso G, Calderan L, Quintieri L, Moro S, Viola G, Ferlin MG. Synthesis, structure-activity relationships and biological evaluation of 7-phenyl-pyrroloquinolinone 3-amide derivatives as potent antimitotic agents. European Journal of Medicinal Chemistry. PMID 27823884 DOI: 10.1016/J.Ejmech.2016.10.026 |
0.37 |
|
| 2016 |
Salmaso V, Sturlese M, Cuzzolin A, Moro S. DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015. Journal of Computer-Aided Molecular Design. PMID 27638810 DOI: 10.1007/S10822-016-9966-4 |
0.369 |
|
| 2016 |
Ciancetta A, Cuzzolin A, Deganutti G, Sturlese M, Salmaso V, Cristiani A, Sabbadin D, Moro S. New Trends in Inspecting GPCR-ligand Recognition Process: the Contribution of the Molecular Modeling Section (MMS) at the University of Padova. Molecular Informatics. 35: 440-8. PMID 27546048 DOI: 10.1002/Minf.201501011 |
0.392 |
|
| 2016 |
Moro S, Sturlese M, Ciancetta A, Floris M. In Silico 3D Modeling of Binding Activities. Methods in Molecular Biology (Clifton, N.J.). 1425: 23-35. PMID 27311460 DOI: 10.1007/978-1-4939-3609-0_2 |
0.465 |
|
| 2016 |
Redenti S, Ciancetta A, Pastorin G, Cacciari B, Moro S, Spalluto G, Federico S. Pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidines and Structurally Simplified Analogs. Chemistry and SAR Profile as Adenosine Receptor Antagonists. Current Topics in Medicinal Chemistry. PMID 27150365 DOI: 10.2174/1568026616666160506145831 |
0.519 |
|
| 2016 |
Cuzzolin A, Sturlese M, Deganutti G, Salmaso V, Sabbadin D, Ciancetta A, Moro S. Deciphering the Complexity of Ligand-protein Recognition Pathways using Supervised Molecular Dynamics (SuMD) Simulations. Journal of Chemical Information and Modeling. PMID 27019343 DOI: 10.1021/Acs.Jcim.5B00702 |
0.433 |
|
| 2016 |
Federico S, Ciancetta A, Porta N, Redenti S, Pastorin G, Cacciari B, Klotz KN, Moro S, Spalluto G. 5,7-Disubstituted-[1,2,4]triazolo[1,5-a][1,3,5]triazines as pharmacological tools to explore the antagonist selectivity profiles toward adenosine receptors. European Journal of Medicinal Chemistry. 108: 529-41. PMID 26717203 DOI: 10.1016/J.Ejmech.2015.12.019 |
0.429 |
|
| 2016 |
Vila N, Besada P, Viña D, Sturlese M, Moro S, Terán C. Synthesis, biological evaluation and molecular modeling studies of phthalazin-1(2: H)-one derivatives as novel cholinesterase inhibitors Rsc Advances. 6: 46170-46185. DOI: 10.1039/C6Ra03841G |
0.705 |
|
| 2015 |
Sturlese M, Bellanda M, Moro S. NMR-Assisted Molecular Docking Methodologies. Molecular Informatics. 34: 513-525. PMID 27490497 DOI: 10.1002/Minf.201500012 |
0.357 |
|
| 2015 |
Squarcialupi L, Catarzi D, Varano F, Betti M, Falsini M, Vincenzi F, Ravani A, Ciancetta A, Varani K, Moro S, Colotta V. Structural refinement of pyrazolo[4,3-d]pyrimidine derivatives to obtain highly potent and selective antagonists for the human A3 adenosine receptor. European Journal of Medicinal Chemistry. 108: 117-133. PMID 26638043 DOI: 10.1016/J.Ejmech.2015.11.015 |
0.5 |
|
| 2015 |
Federico S, Redenti S, Sturlese M, Ciancetta A, Kachler S, Klotz KN, Cacciari B, Moro S, Spalluto G. The Influence of the 1-(3-Trifluoromethyl-Benzyl)-1H-Pyrazole-4-yl Moiety on the Adenosine Receptors Affinity Profile of Pyrazolo[4,3-e][1,2,4]Triazolo[1,5-c]Pyrimidine Derivatives. Plos One. 10: e0143504. PMID 26625265 DOI: 10.1371/Journal.Pone.0143504 |
0.435 |
|
| 2015 |
Ciancetta A, Sabbadin D, Federico S, Spalluto G, Moro S. Advances in Computational Techniques to Study GPCR-Ligand Recognition. Trends in Pharmacological Sciences. 36: 878-90. PMID 26538318 DOI: 10.1016/J.Tips.2015.08.006 |
0.383 |
|
| 2015 |
Paoletta S, Sabbadin D, von Kügelgen I, Hinz S, Katritch V, Hoffmann K, Abdelrahman A, Straßburger J, Baqi Y, Zhao Q, Stevens RC, Moro S, Müller CE, Jacobson KA. Modeling ligand recognition at the P2Y12 receptor in light of X-ray structural information. Journal of Computer-Aided Molecular Design. PMID 26194851 DOI: 10.1007/S10822-015-9858-Z |
0.592 |
|
| 2015 |
Cuzzolin A, Sturlese M, Malvacio I, Ciancetta A, Moro S. DockBench: An Integrated Informatic Platform Bridging the Gap between the Robust Validation of Docking Protocols and Virtual Screening Simulations. Molecules (Basel, Switzerland). 20: 9977-93. PMID 26035098 DOI: 10.3390/Molecules20069977 |
0.308 |
|
| 2015 |
Deganutti G, Cuzzolin A, Ciancetta A, Moro S. Understanding allosteric interactions in G protein-coupled receptors using Supervised Molecular Dynamics: A prototype study analysing the human A3 adenosine receptor positive allosteric modulator LUF6000. Bioorganic & Medicinal Chemistry. 23: 4065-71. PMID 25868747 DOI: 10.1016/J.Bmc.2015.03.039 |
0.486 |
|
| 2015 |
Sissi C, Moro S, Crothers DM. Novel insights on the DNA interaction of calicheamicin γ₁(I). Biopolymers. 103: 449-59. PMID 25411012 DOI: 10.1002/Bip.22591 |
0.341 |
|
| 2015 |
Sabbadin D, Ciancetta A, Deganutti G, Cuzzolin A, Moro S. Exploring the recognition pathway at the human A2A adenosine receptor of the endogenous agonist adenosine using supervised molecular dynamics simulations Medchemcomm. 6: 1081-1085. DOI: 10.1039/C5Md00016E |
0.484 |
|
| 2015 |
Deganutti G, Cuzzolin A, Ciancetta A, Moro S. Understanding allosteric interactions in G protein-coupled receptors using Supervised Molecular Dynamics: A prototype study analysing the human A3 adenosine receptor positive allosteric modulator LUF6000 Bioorganic and Medicinal Chemistry. 23: 4065-4071. DOI: 10.1016/j.bmc.2015.03.039 |
0.336 |
|
| 2014 |
Sabbadin D, Ciancetta A, Moro S. Perturbation of fluid dynamics properties of water molecules during g protein-coupled receptor-ligand recognition: The human A2a adenosine receptor as a key study Journal of Chemical Information and Modeling. 54: 2846-2855. PMID 25245783 DOI: 10.1021/Ci500397Y |
0.43 |
|
| 2014 |
Squarcialupi L, Colotta V, Catarzi D, Varano F, Betti M, Varani K, Vincenzi F, Borea PA, Porta N, Ciancetta A, Moro S. 7-Amino-2-phenylpyrazolo[4,3-d]pyrimidine derivatives: Structural investigations at the 5-position to target human A1 and A 2A adenosine receptors. Molecular modeling and pharmacological studies European Journal of Medicinal Chemistry. 84: 614-627. PMID 25063944 DOI: 10.1016/J.Ejmech.2014.07.060 |
0.477 |
|
| 2014 |
Ciancetta A, Cuzzolin A, Moro S. Alternative quality assessment strategy to compare performances of GPCR-ligand docking protocols: The human adenosine A2A receptor as a case study Journal of Chemical Information and Modeling. 54: 2243-2254. PMID 25046649 DOI: 10.1021/Ci5002857 |
0.44 |
|
| 2014 |
Masiero A, Aufiero S, Minervini G, Moro S, Costa R, Tosatto SC. Evaluation of the steric impact of flavin adenine dinucleotide in Drosophila melanogaster cryptochrome function. Biochemical and Biophysical Research Communications. 450: 1606-11. PMID 25026553 DOI: 10.1016/J.Bbrc.2014.07.038 |
0.351 |
|
| 2014 |
Federico S, Ciancetta A, Porta N, Redenti S, Pastorin G, Cacciari B, Klotz KN, Moro S, Spalluto G. Scaffold decoration at positions 5 and 8 of 1,2,4-triazolo[1,5- c ]pyrimidines to explore the antagonist profiling on adenosine receptors: A preliminary structure-activity relationship study Journal of Medicinal Chemistry. 57: 6210-6225. PMID 24972108 DOI: 10.1021/Jm500752H |
0.444 |
|
| 2014 |
Sabbadin D, Moro S. Supervised molecular dynamics (SuMD) as a helpful tool to depict GPCR-ligand recognition pathway in a nanosecond time scale Journal of Chemical Information and Modeling. 54: 372-376. PMID 24456045 DOI: 10.1021/Ci400766B |
0.412 |
|
| 2014 |
Sabbadin D, Ciancetta A, Moro S. Bridging molecular docking to membrane molecular dynamics to investigate GPCR-ligand recognition: The human A2A adenosine receptor as a key study Journal of Chemical Information and Modeling. 54: 169-183. PMID 24359090 DOI: 10.1021/Ci400532B |
0.509 |
|
| 2013 |
Floris M, Sabbadin D, Ciancetta A, Medda R, Cuzzolin A, Moro S. Implementing the "Best Template Searching" tool into Adenosiland platform. In Silico Pharmacology. 1: 25. PMID 25505667 DOI: 10.1186/2193-9616-1-25 |
0.354 |
|
| 2013 |
Ferlin MG, Carta D, Bortolozzi R, Ghodsi R, Chimento A, Pezzi V, Moro S, Hanke N, Hartmann RW, Basso G, Viola G. Design, synthesis, and structure-activity relationships of azolylmethylpyrroloquinolines as nonsteroidal aromatase inhibitors Journal of Medicinal Chemistry. 56: 7536-7551. PMID 24025069 DOI: 10.1021/Jm400377Z |
0.358 |
|
| 2013 |
Bacilieri M, Ciancetta A, Paoletta S, Federico S, Cosconati S, Cacciari B, Taliani S, Da Settimo F, Novellino E, Klotz KN, Spalluto G, Moro S. Revisiting a receptor-based pharmacophore hypothesis for human A 2A adenosine receptor antagonists Journal of Chemical Information and Modeling. 53: 1620-1637. PMID 23705857 DOI: 10.1021/Ci300615U |
0.506 |
|
| 2013 |
Inamdar GS, Pandya AN, Thakar HM, Sudarsanam V, Kachler S, Sabbadin D, Moro S, Klotz KN, Vasu KK. New insight into adenosine receptors selectivity derived from a novel series of [5-substituted-4-phenyl-1,3-thiazol-2-yl] benzamides and furamides European Journal of Medicinal Chemistry. 63: 924-934. PMID 23685887 DOI: 10.1016/J.Ejmech.2013.03.020 |
0.52 |
|
| 2013 |
Squarcialupi L, Colotta V, Catarzi D, Varano F, Filacchioni G, Varani K, Corciulo C, Vincenzi F, Borea PA, Ghelardini C, Di Cesare Mannelli L, Ciancetta A, Moro S. 2-Arylpyrazolo[4,3-d]pyrimidin-7-amino derivatives as new potent and selective human A3 adenosine receptor antagonists. Molecular modeling studies and pharmacological evaluation Journal of Medicinal Chemistry. 56: 2256-2269. PMID 23427825 DOI: 10.1021/Jm400068E |
0.481 |
|
| 2013 |
Cozza G, Pinna LA, Moro S. Kinase CK2 inhibition: an update. Current Medicinal Chemistry. 20: 671-93. PMID 23210774 DOI: 10.2174/092986713804999312 |
0.304 |
|
| 2013 |
Kozma E, Jayasekara PS, Squarcialupi L, Paoletta S, Moro S, Federico S, Spalluto G, Jacobson KA. Fluorescent ligands for adenosine receptors. Bioorganic & Medicinal Chemistry Letters. 23: 26-36. PMID 23200243 DOI: 10.1016/J.Bmcl.2012.10.112 |
0.484 |
|
| 2013 |
Bortolato A, Fanton M, Mason JS, Moro S. Molecular docking methodologies. Methods in Molecular Biology (Clifton, N.J.). 924: 339-360. PMID 23034755 DOI: 10.1007/978-1-62703-017-5_13 |
0.33 |
|
| 2013 |
Cheong SL, Federico S, Venkatesan G, Mandel AL, Shao YM, Moro S, Spalluto G, Pastorin G. The A3 adenosine receptor as multifaceted therapeutic target: Pharmacology, medicinal chemistry, and in silico approaches Medicinal Research Reviews. 33: 235-335. PMID 22095687 DOI: 10.1002/Med.20254 |
0.469 |
|
| 2012 |
Floris M, Moro S. Mimicking Peptides… In Silico. Molecular Informatics. 31: 12-20. PMID 27478173 DOI: 10.1002/Minf.201100093 |
0.302 |
|
| 2012 |
Floris M, Sabbadin D, Medda R, Bulfone A, Moro S. Adenosiland: Walking through adenosine receptors landscape European Journal of Medicinal Chemistry. 58: 248-257. PMID 23127988 DOI: 10.1016/J.Ejmech.2012.10.022 |
0.46 |
|
| 2012 |
Federico S, Ciancetta A, Sabbadin D, Paoletta S, Pastorin G, Cacciari B, Klotz KN, Moro S, Spalluto G. Exploring the directionality of 5-substitutions in a new series of 5-alkylaminopyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine as a strategy to design novel human A3 adenosine receptor antagonists Journal of Medicinal Chemistry. 55: 9654-9668. PMID 23098605 DOI: 10.1021/Jm300899Q |
0.48 |
|
| 2012 |
Furlanetto V, Zagotto G, Pasquale R, Moro S, Gatto B. Ellagic acid and polyhydroxylated urolithins are potent catalytic inhibitors of human topoisomerase II: An in vitro study Journal of Agricultural and Food Chemistry. 60: 9162-9170. PMID 22924519 DOI: 10.1021/Jf302600Q |
0.316 |
|
| 2012 |
Colotta V, Lenzi O, Catarzi D, Varano F, Squarcialupi L, Costagli C, Galli A, Ghelardini C, Pugliese AM, Maraula G, Coppi E, Pellegrini-Giampietro DE, Pedata F, Sabbadin D, Moro S. 3-Hydroxy-1H-quinazoline-2,4-dione derivatives as new antagonists at ionotropic glutamate receptors: molecular modeling and pharmacological studies. European Journal of Medicinal Chemistry. 54: 470-82. PMID 22704999 DOI: 10.1016/J.Ejmech.2012.05.036 |
0.438 |
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| 2012 |
Gaspar A, Reis J, Kachler S, Paoletta S, Uriarte E, Klotz KN, Moro S, Borges F. Discovery of novel A3 adenosine receptor ligands based on chromone scaffold. Biochemical Pharmacology. 84: 21-9. PMID 22433284 DOI: 10.1016/J.Bcp.2012.03.007 |
0.49 |
|
| 2012 |
Kozma E, Kumar TS, Federico S, Phan K, Balasubramanian R, Gao ZG, Paoletta S, Moro S, Spalluto G, Jacobson KA. Novel fluorescent antagonist as a molecular probe in A(3) adenosine receptor binding assays using flow cytometry. Biochemical Pharmacology. 83: 1552-61. PMID 22402302 DOI: 10.1016/J.Bcp.2012.02.019 |
0.553 |
|
| 2011 |
Bacilieri M, Paoletta S, Basili S, Fanton M, Moro S. A Novel Generalized 3D-QSAR Model of Camptothecin Analogs. Molecular Informatics. 30: 927-38. PMID 27468148 DOI: 10.1002/Minf.201100060 |
0.352 |
|
| 2011 |
Bertini S, Asso V, Ghilardi E, Granchi C, Manera C, Minutolo F, Saccomanni G, Bortolato A, Mason J, Moro S, MacChia M. Carbazole-containing arylcarboxamides as BACE1 inhibitors Bioorganic and Medicinal Chemistry Letters. 21: 6657-6661. PMID 21986588 DOI: 10.1016/J.Bmcl.2011.09.064 |
0.344 |
|
| 2011 |
Cozza G, Gianoncelli A, Bonvini P, Zorzi E, Pasquale R, Rosolen A, Pinna LA, Meggio F, Zagotto G, Moro S. Urolithin as a Converging Scaffold Linking Ellagic acid and Coumarin Analogues: Design of Potent Protein Kinase CK2 Inhibitors Chemmedchem. 6: 2273-2286. PMID 21972104 DOI: 10.1002/Cmdc.201100338 |
0.342 |
|
| 2011 |
Inui M, Manfrin A, Mamidi A, Martello G, Morsut L, Soligo S, Enzo E, Moro S, Polo S, Dupont S, Cordenonsi M, Piccolo S. USP15 is a deubiquitylating enzyme for receptor-activated SMADs Nature Cell Biology. 13: 1368-1375. PMID 21947082 DOI: 10.1038/Ncb2346 |
0.325 |
|
| 2011 |
Cheong SL, Dolzhenko AV, Paoletta S, Lee EPR, Kachler S, Federico S, Klotz KN, Spalluto G, Moro S, Pastorin G. Does the combination of optimal substitutions at the C 2-, N 5- and N 8-positions of the pyrazolo-triazolo-pyrimidine scaffold guarantee selective modulation of the human A 3 adenosine receptors? Bioorganic and Medicinal Chemistry. 19: 6120-6134. PMID 21908194 DOI: 10.1016/J.Bmc.2011.08.026 |
0.414 |
|
| 2011 |
Quintieri L, Palatini P, Moro S, Floreani M. Inhibition of cytochrome P450 2C8-mediated drug metabolism by the flavonoid diosmetin Drug Metabolism and Pharmacokinetics. 26: 559-568. PMID 21791871 DOI: 10.2133/Dmpk.Dmpk-11-Rg-048 |
0.315 |
|
| 2011 |
Cozza G, Meggio F, Moro S. The dark side of protein kinase CK2 inhibition Current Medicinal Chemistry. 18: 2867-2884. PMID 21651492 DOI: 10.2174/092986711796150423 |
0.332 |
|
| 2011 |
Floris M, Masciocchi J, Fanton M, Moro S. Swimming into peptidomimetic chemical space using pepMMsMIMIC Nucleic Acids Research. 39: W261-W269. PMID 21622954 DOI: 10.1093/Nar/Gkr287 |
0.31 |
|
| 2011 |
Poli D, Catarzi D, Colotta V, Varano F, Filacchioni G, Daniele S, Trincavelli L, Martini C, Paoletta S, Moro S. The identification of the 2-phenylphthalazin-1(2 H)-one scaffold as a new decorable core skeleton for the design of potent and selective human A 3 adenosine receptor antagonists Journal of Medicinal Chemistry. 54: 2102-2113. PMID 21401121 DOI: 10.1021/Jm101328N |
0.453 |
|
| 2011 |
Federico S, Paoletta S, Cheong SL, Pastorin G, Cacciari B, Stragliotto S, Klotz KN, Siegel J, Gao ZG, Jacobson KA, Moro S, Spalluto G. Synthesis and biological evaluation of a new series of 1,2,4-triazolo[1,5-a]-1,3,5-triazines as human A(2A) adenosine receptor antagonists with improved water solubility. Journal of Medicinal Chemistry. 54: 877-89. PMID 21214204 DOI: 10.1021/Jm101349U |
0.572 |
|
| 2011 |
Baraldi PG, Makaeva R, Pavani MG, Nuñez MdC, Spalluto G, Moro S, Falzoni S, Virgilio FD, Romagnoli R. Synthesis, biological activity and molecular modeling studies of 1,2,3,4-tetrahydroisoquinoline derivatives as conformationally constrained analogues of KN62, a potent antagonist of the P2X7-receptor containing a tyrosine moiety. Drug Research. 52: 273-285. PMID 12040970 DOI: 10.1055/S-0031-1299891 |
0.486 |
|
| 2010 |
Samorì C, Beretta GL, Varchi G, Guerrini A, Di Micco S, Basili S, Bifulco G, Riccio R, Moro S, Bombardelli E, Zunino F, Fontana G. Structure-activity relationship study of 16 a-thiocamptothecins: an integrated in vitro and in silico approach. Chemmedchem. 5: 2006-15. PMID 21069656 DOI: 10.1002/Cmdc.201000369 |
0.363 |
|
| 2010 |
Paoletta S, Federico S, Spalluto G, Moro S. Receptor-driven identification of novel human A₃ adenosine receptor antagonists as potential therapeutic agents. Methods in Enzymology. 485: 225-44. PMID 21050920 DOI: 10.1016/B978-0-12-381296-4.00013-0 |
0.438 |
|
| 2010 |
Bertini S, Ghilardi E, Asso V, Granchi C, Minutolo F, Pineschi M, Di Bussolo V, Bortolato A, Moro S, Saba A, Macchia M. BACE1 inhibitory activities of enantiomerically pure, variously substituted N-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl) arylsulfonamides. Bioorganic & Medicinal Chemistry. 18: 7991-6. PMID 20934348 DOI: 10.1016/J.Bmc.2010.09.032 |
0.322 |
|
| 2010 |
Quintieri L, Bortolozzo S, Stragliotto S, Moro S, Pavanetto M, Nassi A, Palatini P, Floreani M. Flavonoids diosmetin and hesperetin are potent inhibitors of cytochrome P450 2C9-mediated drug metabolism in vitro. Drug Metabolism and Pharmacokinetics. 25: 466-76. PMID 20877134 DOI: 10.2133/Dmpk.Dmpk-10-Rg-044 |
0.334 |
|
| 2010 |
Gianoncelli A, Basili S, Scalabrin M, Sosic A, Moro S, Zagotto G, Palumbo M, Gresh N, Gatto B. Rational design, synthesis, and DNA binding properties of novel sequence-selective peptidyl congeners of ametantrone. Chemmedchem. 5: 1080-91. PMID 20458714 DOI: 10.1002/Cmdc.201000106 |
0.366 |
|
| 2010 |
Cheong SL, Dolzhenko A, Kachler S, Paoletta S, Federico S, Cacciari B, Dolzhenko A, Klotz KN, Moro S, Spalluto G, Pastorin G. The significance of 2-furyl ring substitution with a 2-(para-substituted) aryl group in a new series of pyrazolo-triazolo-pyrimidines as potent and highly selective hA(3) adenosine receptors antagonists: new insights into structure-affinity relationship and receptor-antagonist recognition. Journal of Medicinal Chemistry. 53: 3361-75. PMID 20307065 DOI: 10.1021/Jm100049F |
0.516 |
|
| 2010 |
Pastorin G, Federico S, Paoletta S, Corradino M, Cateni F, Cacciari B, Klotz KN, Gao ZG, Jacobson KA, Spalluto G, Moro S. Synthesis and pharmacological characterization of a new series of 5,7-disubstituted-[1,2,4]triazolo[1,5-a][1,3,5]triazine derivatives as adenosine receptor antagonists: A preliminary inspection of ligand-receptor recognition process. Bioorganic & Medicinal Chemistry. 18: 2524-36. PMID 20304654 DOI: 10.1016/J.Bmc.2010.02.039 |
0.581 |
|
| 2009 |
Morizzo E, Federico S, Spalluto G, Moro S. Human A3 adenosine receptor as versatile G protein-coupled receptor example to validate the receptor homology modeling technology. Current Pharmaceutical Design. 15: 4069-84. PMID 20028322 DOI: 10.2174/138161209789824777 |
0.469 |
|
| 2009 |
Moro S. In silico approaches in G protein-coupled receptors (GPCRs) drug discovery: quo vadis? Current Pharmaceutical Design. 15: 3992-3. PMID 20028317 DOI: 10.2174/138161209789824812 |
0.367 |
|
| 2009 |
Michielan L, Stephanie F, Terfloth L, Hristozov D, Cacciari B, Klotz KN, Spalluto G, Gasteiger J, Moro S. Exploring potency and selectivity receptor antagonist profiles using a multilabel classification approach: the human adenosine receptors as a key study. Journal of Chemical Information and Modeling. 49: 2820-36. PMID 19908874 DOI: 10.1021/Ci900311J |
0.477 |
|
| 2009 |
Michielan L, Terfloth L, Gasteiger J, Moro S. Comparison of multilabel and single-label classification applied to the prediction of the isoform specificity of cytochrome p450 substrates. Journal of Chemical Information and Modeling. 49: 2588-605. PMID 19883102 DOI: 10.1021/Ci900299A |
0.3 |
|
| 2009 |
Cozza G, Bortolato A, Menta E, Cavalletti E, Spinelli S, Moro S. ATP non-competitive Ser/Thr kinase inhibitors as potential anticancer agents. Anti-Cancer Agents in Medicinal Chemistry. 9: 778-86. PMID 19799530 DOI: 10.2174/187152009789056930 |
0.33 |
|
| 2009 |
Lenzi O, Colotta V, Catarzi D, Varano F, Poli D, Filacchioni G, Varani K, Vincenzi F, Borea PA, Paoletta S, Morizzo E, Moro S. 2-Phenylpyrazolo[4,3-d]pyrimidin-7-one as a new scaffold to obtain potent and selective human A3 adenosine receptor antagonists: new insights into the receptor-antagonist recognition. Journal of Medicinal Chemistry. 52: 7640-52. PMID 19743865 DOI: 10.1021/Jm900718W |
0.49 |
|
| 2009 |
Samorì C, Guerrini A, Varchi G, Fontana G, Bombardelli E, Tinelli S, Beretta GL, Basili S, Moro S, Zunino F, Battaglia A. Semisynthesis, biological activity, and molecular modeling studies of C-ring-modified camptothecins. Journal of Medicinal Chemistry. 52: 1029-39. PMID 19530720 DOI: 10.1021/Jm801153Y |
0.349 |
|
| 2009 |
Michielan L, Bolcato C, Federico S, Cacciari B, Bacilieri M, Klotz KN, Kachler S, Pastorin G, Cardin R, Sperduti A, Spalluto G, Moro S. Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites. Bioorganic & Medicinal Chemistry. 17: 5259-74. PMID 19501513 DOI: 10.1016/J.Bmc.2009.05.038 |
0.462 |
|
| 2009 |
Cozza G, Mazzorana M, Papinutto E, Bain J, Elliott M, di Maira G, Gianoncelli A, Pagano MA, Sarno S, Ruzzene M, Battistutta R, Meggio F, Moro S, Zagotto G, Pinna LA. Quinalizarin as a potent, selective and cell-permeable inhibitor of protein kinase CK2. The Biochemical Journal. 421: 387-95. PMID 19432557 DOI: 10.1042/Bj20090069 |
0.304 |
|
| 2009 |
Colotta V, Lenzi O, Catarzi D, Varano F, Filacchioni G, Martini C, Trincavelli L, Ciampi O, Pugliese AM, Traini C, Pedata F, Morizzo E, Moro S. Pyrido[2,3-e]-1,2,4-triazolo[4,3-a]pyrazin-1-one as a new scaffold to develop potent and selective human A3 adenosine receptor antagonists. Synthesis, pharmacological evaluation, and ligand-receptor modeling studies. Journal of Medicinal Chemistry. 52: 2407-19. PMID 19301821 DOI: 10.1021/Jm8014876 |
0.489 |
|
| 2008 |
Bortolato A, Moro S. Designing a ligand for pharmaceutical purposes. Expert Opinion On Drug Discovery. 3: 579-90. PMID 23484928 DOI: 10.1517/17460441.3.5.579 |
0.316 |
|
| 2008 |
Vilar S, Cozza G, Moro S. Medicinal chemistry and the molecular operating environment (MOE): application of QSAR and molecular docking to drug discovery. Current Topics in Medicinal Chemistry. 8: 1555-72. PMID 19075767 DOI: 10.2174/156802608786786624 |
0.351 |
|
| 2008 |
Bortolato A, Cozza G, Moro S. Protein kinase CK2 inhibitors: emerging anticancer therapeutic agents? Anti-Cancer Agents in Medicinal Chemistry. 8: 798-806. PMID 18855581 DOI: 10.2174/187152008785914761 |
0.301 |
|
| 2008 |
Vettore S, Scandellari R, Moro S, Lombardi AM, Scapin M, Randi ML, Fabris F. Novel point mutation in a leucine-rich repeat of the GPIbalpha chain of the platelet von Willebrand factor receptor, GPIb/IX/V, resulting in an inherited dominant form of Bernard-Soulier syndrome affecting two unrelated families: the N41H variant. Haematologica. 93: 1743-7. PMID 18815197 DOI: 10.3324/Haematol.12830 |
0.307 |
|
| 2008 |
Cozza G, Gianoncelli A, Montopoli M, Caparrotta L, Venerando A, Meggio F, Pinna LA, Zagotto G, Moro S. Identification of novel protein kinase CK1 delta (CK1delta) inhibitors through structure-based virtual screening. Bioorganic & Medicinal Chemistry Letters. 18: 5672-5. PMID 18799313 DOI: 10.1016/J.Bmcl.2008.08.072 |
0.307 |
|
| 2008 |
Colotta V, Catarzi D, Varano F, Lenzi O, Filacchioni G, Martini C, Trincavelli L, Ciampi O, Traini C, Pugliese AM, Pedata F, Morizzo E, Moro S. Synthesis, ligand-receptor modeling studies and pharmacological evaluation of novel 4-modified-2-aryl-1,2,4-triazolo[4,3-a]quinoxalin-1-one derivatives as potent and selective human A3 adenosine receptor antagonists. Bioorganic & Medicinal Chemistry. 16: 6086-102. PMID 18468446 DOI: 10.1016/J.Bmc.2008.04.039 |
0.504 |
|
| 2008 |
Leone S, Mutti C, Kazantsev A, Sturlese M, Moro S, Cattaneo E, Rigamonti D, Contini A. SAR and QSAR study on 2-aminothiazole derivatives, modulators of transcriptional repression in Huntington's disease. Bioorganic & Medicinal Chemistry. 16: 5695-703. PMID 18406155 DOI: 10.1016/J.Bmc.2008.03.067 |
0.312 |
|
| 2008 |
Michielan L, Bacilieri M, Kaseda C, Moro S. Prediction of the aqueous solvation free energy of organic compounds by using autocorrelation of molecular electrostatic potential surface properties combined with response surface analysis. Bioorganic & Medicinal Chemistry. 16: 5733-42. PMID 18406153 DOI: 10.1016/J.Bmc.2008.03.064 |
0.304 |
|
| 2008 |
Bolcato C, Cusan C, Pastorin G, Spalluto G, Cacciari B, Klotz KN, Morizzo E, Moro S. Pyrazolo-triazolo-pyrimidines as adenosine receptor antagonists: Effect of the N-5 bond type on the affinity and selectivity at the four adenosine receptor subtypes. Purinergic Signalling. 4: 39-46. PMID 18368532 DOI: 10.1007/S11302-007-9058-Y |
0.492 |
|
| 2008 |
Chilin A, Battistutta R, Bortolato A, Cozza G, Zanatta S, Poletto G, Mazzorana M, Zagotto G, Uriarte E, Guiotto A, Pinna LA, Meggio F, Moro S. Coumarin as attractive casein kinase 2 (CK2) inhibitor scaffold: an integrate approach to elucidate the putative binding motif and explain structure-activity relationships. Journal of Medicinal Chemistry. 51: 752-9. PMID 18251491 DOI: 10.1021/Jm070909T |
0.349 |
|
| 2008 |
Michielan L, Bacilieri M, Schiesaro A, Bolcato C, Pastorin G, Spalluto G, Cacciari B, Klotz KN, Kaseda C, Moro S. Linear and nonlinear 3D-QSAR approaches in tandem with ligand-based homology modeling as a computational strategy to depict the pyrazolo-triazolo-pyrimidine antagonists binding site of the human adenosine A2A receptor. Journal of Chemical Information and Modeling. 48: 350-63. PMID 18215030 DOI: 10.1021/Ci700300W |
0.478 |
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| 2008 |
Zagotto G, Sissi C, Moro S, Dal Ben D, Parkinson GN, Fox KR, Neidle S, Palumbo M. Amide bond direction modulates G-quadruplex recognition and telomerase inhibition by 2,6 and 2,7 bis-substituted anthracenedione derivatives. Bioorganic & Medicinal Chemistry. 16: 354-61. PMID 17936629 DOI: 10.1016/J.Bmc.2007.09.040 |
0.344 |
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| 2008 |
Cozza G, Moro S, Gotte G. Elucidation of the ribonuclease A aggregation process mediated by 3D domain swapping: a computational approach reveals possible new multimeric structures. Biopolymers. 89: 26-39. PMID 17763469 DOI: 10.1002/Bip.20833 |
0.31 |
|
| 2007 |
Moro S, Bacilieri M, Deflorian F. Combining ligand-based and structure-based drug design in the virtual screening arena. Expert Opinion On Drug Discovery. 2: 37-49. PMID 23496036 DOI: 10.1517/17460441.2.1.37 |
0.313 |
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| 2007 |
Cacciari B, Bolcato C, Spalluto G, Klotz KN, Bacilieri M, Deflorian F, Moro S. Pyrazolo-triazolo-pyrimidines as adenosine receptor antagonists: A complete structure-activity profile. Purinergic Signalling. 3: 183-93. PMID 18404432 DOI: 10.1007/S11302-006-9027-X |
0.487 |
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| 2007 |
Morizzo E, Capelli F, Lenzi O, Catarzi D, Varano F, Filacchioni G, Vincenzi F, Varani K, Borea PA, Colotta V, Moro S. Scouting human A3 adenosine receptor antagonist binding mode using a molecular simplification approach: from triazoloquinoxaline to a pyrimidine skeleton as a key study. Journal of Medicinal Chemistry. 50: 6596-606. PMID 18047262 DOI: 10.1021/Jm070852A |
0.48 |
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| 2007 |
Basili S, Bergen A, Dall'Acqua F, Faccio A, Granzhan A, Ihmels H, Moro S, Viola G. Relationship between the structure and the DNA binding properties of diazoniapolycyclic duplex- and triplex-DNA binders: efficiency, selectivity, and binding mode. Biochemistry. 46: 12721-36. PMID 17939688 DOI: 10.1021/Bi701518V |
0.33 |
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| 2007 |
Ben DD, Palumbo M, Zagotto G, Capranico G, Moro S. DNA topoisomerase II structures and anthracycline activity: insights into ternary complex formation. Current Pharmaceutical Design. 13: 2766-2780. PMID 17897022 DOI: 10.2174/138161207781757105 |
0.35 |
|
| 2007 |
Battistutta R, Mazzorana M, Cendron L, Bortolato A, Sarno S, Kazimierczuk Z, Zanotti G, Moro S, Pinna LA. The ATP-binding site of protein kinase CK2 holds a positive electrostatic area and conserved water molecules. Chembiochem : a European Journal of Chemical Biology. 8: 1804-9. PMID 17768728 DOI: 10.1002/Cbic.200700307 |
0.363 |
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| 2007 |
Bacilieri M, Varano F, Deflorian F, Marini M, Catarzi D, Colotta V, Filacchioni G, Galli A, Costagli C, Kaseda C, Moro S. Tandem 3D-QSARs approach as a valuable tool to predict binding affinity data: design of new Gly/NMDA receptor antagonists as a key study. Journal of Chemical Information and Modeling. 47: 1913-22. PMID 17722877 DOI: 10.1021/Ci7001846 |
0.418 |
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| 2007 |
Colotta V, Catarzi D, Varano F, Capelli F, Lenzi O, Filacchioni G, Martini C, Trincavelli L, Ciampi O, Pugliese AM, Pedata F, Schiesaro A, Morizzo E, Moro S. New 2-arylpyrazolo[3,4-c]quinoline derivatives as potent and selective human A3 adenosine receptor antagonists. Synthesis, pharmacological evaluation, and ligand-receptor modeling studies. Journal of Medicinal Chemistry. 50: 4061-74. PMID 17665891 DOI: 10.1021/Jm070123V |
0.513 |
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| 2007 |
Bortolato A, Moro S. In silico binding free energy predictability by using the linear interaction energy (LIE) method: bromobenzimidazole CK2 inhibitors as a case study. Journal of Chemical Information and Modeling. 47: 572-582. PMID 17381174 DOI: 10.1021/Ci600369N |
0.336 |
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| 2007 |
Cristalli G, Cacciari B, Dal Ben D, Lambertucci C, Moro S, Spalluto G, Volpini R. Highlights on the development of A(2A) adenosine receptor agonists and antagonists. Chemmedchem. 2: 260-81. PMID 17177231 DOI: 10.1002/Cmdc.200600193 |
0.468 |
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| 2007 |
Pagano MA, Poletto G, Di Maira G, Cozza G, Ruzzene M, Sarno S, Bain J, Elliott M, Moro S, Zagotto G, Meggio F, Pinna LA. Tetrabromocinnamic acid (TBCA) and related compounds represent a new class of specific protein kinase CK2 inhibitors. Chembiochem : a European Journal of Chemical Biology. 8: 129-39. PMID 17133643 DOI: 10.1002/Cbic.200600293 |
0.312 |
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| 2007 |
Bacilieri M, Kaseda C, Spalluto G, Moro S. Response Surface Analysis as Alternative 3D-QSAR Tool: Human A3 Adenosine Receptor Antagonists as a Key Study Letters in Drug Design & Discovery. 4: 122-127. DOI: 10.2174/157018007779422460 |
0.394 |
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| 2006 |
Bacilieri M, Moro S. Ligand-based drug design methodologies in drug discovery process: an overview. Current Drug Discovery Technologies. 3: 155-65. PMID 17311561 DOI: 10.2174/157016306780136781 |
0.304 |
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| 2006 |
Ihmels H, Otto D, Dall'Acqua F, Faccio A, Moro S, Viola G. Comparative studies on the DNA-binding properties of linear and angular dibenzoquinolizinium ions. The Journal of Organic Chemistry. 71: 8401-11. PMID 17064012 DOI: 10.1021/Jo0612271 |
0.33 |
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| 2006 |
Colotta V, Catarzi D, Varano F, Lenzi O, Filacchioni G, Costagli C, Galli A, Ghelardini C, Galeotti N, Gratteri P, Sgrignani J, Deflorian F, Moro S. Structural investigation of the 7-chloro-3-hydroxy-1H-quinazoline-2,4-dione scaffold to obtain AMPA and kainate receptor selective antagonists. Synthesis, pharmacological, and molecular modeling studies. Journal of Medicinal Chemistry. 49: 6015-26. PMID 17004715 DOI: 10.1021/Jm0604880 |
0.495 |
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| 2006 |
Moro S, Deflorian F, Bacilieri M, Spalluto G. Ligand-based homology modeling as attractive tool to inspect GPCR structural plasticity. Current Pharmaceutical Design. 12: 2175-85. PMID 16796562 DOI: 10.2174/138161206777585265 |
0.473 |
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| 2006 |
Lenzi O, Colotta V, Catarzi D, Varano F, Filacchioni G, Martini C, Trincavelli L, Ciampi O, Varani K, Marighetti F, Morizzo E, Moro S. 4-amido-2-aryl-1,2,4-triazolo[4,3-a]quinoxalin-1-ones as new potent and selective human A3 adenosine receptor antagonists. synthesis, pharmacological evaluation, and ligand-receptor modeling studies Journal of Medicinal Chemistry. 49: 3916-3925. PMID 16789747 DOI: 10.1021/Jm060373W |
0.503 |
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| 2006 |
Moro S, Bacilieri M, Cacciari B, Bolcato C, Cusan C, Pastorin G, Klotz KN, Spalluto G. The application of a 3D-QSAR (autoMEP/PLS) approach as an efficient pharmacodynamic-driven filtering method for small-sized virtual library: application to a lead optimization of a human A3 adenosine receptor antagonist. Bioorganic & Medicinal Chemistry. 14: 4923-32. PMID 16564691 DOI: 10.1016/J.Bmc.2006.03.010 |
0.434 |
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| 2006 |
Moro S, Deflorian F, Bacilieri M, Spalluto G. Novel strategies for the design of new potent and selective human A3 receptor antagonists: an update. Current Medicinal Chemistry. 13: 639-45. PMID 16529556 DOI: 10.2174/092986706776055670 |
0.493 |
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| 2006 |
Pastorin G, Ros TD, Bolcato C, Montopoli C, Moro S, Cacciari B, Baraldi PG, Varani K, Borea PA, Spalluto G. Synthesis and biological studies of a new series of 5-heteroarylcarbamoylaminopyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidines as human A3 adenosine receptor antagonists. Influence of the heteroaryl substituent on binding affinity and molecular modeling investigations. Journal of Medicinal Chemistry. 49: 1720-1729. PMID 16509587 DOI: 10.1021/Jm051147+ |
0.471 |
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| 2006 |
Moro S, Bacilieri M, Ferrari C, Spalluto G. Autocorrelation of molecular electrostatic potential surface properties combined with partial least squares analysis as alternative attractive tool to generate ligand-based 3D-QSARs. Current Drug Discovery Technologies. 2: 13-21. PMID 16472237 DOI: 10.2174/1570163053175439 |
0.441 |
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| 2006 |
Moro S, Gao ZG, Jacobson KA, Spalluto G. Progress in the pursuit of therapeutic adenosine receptor antagonists. Medicinal Research Reviews. 26: 131-59. PMID 16380972 DOI: 10.1002/Med.20048 |
0.604 |
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| 2006 |
Moro S, Bacilieri M, Deflorian F, Spalluto G. G protein-coupled receptors as challenging druggable targets: insights from in silico studies New Journal of Chemistry. 30: 301. DOI: 10.1039/B516389G |
0.473 |
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| 2005 |
Del Grosso E, Boschi D, Lazzarato L, Cena C, Di Stilo A, Fruttero R, Moro S, Gasco A. The furoxan system: design of selective nitric oxide (NO) donor inhibitors of COX-2 endowed with anti-aggregatory and vasodilating activities. Chemistry & Biodiversity. 2: 886-900. PMID 17193179 DOI: 10.1002/Cbdv.200590065 |
0.327 |
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| 2005 |
Brigo A, Mustata GI, Briggs JM, Moro S. Discovery of HIV-1 integrase inhibitors through a novel combination of ligand and structure-based drug design. Medicinal Chemistry (ShāRiqah (United Arab Emirates)). 1: 263-75. PMID 16787322 DOI: 10.2174/1573406053765440 |
0.362 |
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| 2005 |
Cacciari B, Pastorin G, Bolcato C, Spalluto G, Bacilieri M, Moro S. A2B Adenosine Receptor Antagonists: Recent Developments Mini-Reviews in Medicinal Chemistry. 5: 1053-1060. PMID 16375751 DOI: 10.2174/138955705774933374 |
0.394 |
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| 2005 |
Catarzi D, Colotta V, Varano F, Lenzi O, Filacchioni G, Trincavelli L, Martini C, Montopoli C, Moro S. 1,2,4-Triazolo[1,5-a]quinoxaline as a Versatile Tool for the Design of Selective Human A3 Adenosine Receptor Antagonists: Synthesis, Biological Evaluation, and Molecular Modeling Studies of 2-(Hetero)aryl- and 2-Carboxy-Substitued Derivatives Journal of Medicinal Chemistry. 48: 7932-7945. PMID 16335918 DOI: 10.1021/Jm0504149 |
0.477 |
|
| 2005 |
Moro S, Bacilieri M, Cacciari B, Spalluto G. Autocorrelation of molecular electrostatic potential surface properties combined with partial least squares analysis as new strategy for the prediction of the activity of human A(3) adenosine receptor antagonists. Journal of Medicinal Chemistry. 48: 5698-704. PMID 16134938 DOI: 10.1021/Jm0502440 |
0.442 |
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| 2005 |
Varano F, Catarzi D, Colotta V, Calabri FR, Lenzi O, Filacchioni G, Galli A, Costagli C, Deflorian F, Moro S. 1-Substituted pyrazolo[1,5-c]quinazolines as novel Gly/NMDA receptor antagonists: synthesis, biological evaluation, and molecular modeling study. Bioorganic & Medicinal Chemistry. 13: 5536-49. PMID 16087341 DOI: 10.1016/J.Bmc.2005.07.010 |
0.456 |
|
| 2005 |
Pastorin G, Bolcato C, Cacciari B, Kachler S, Klotz K-, Montopoli C, Moro S, Spalluto G. Synthesis, biological and modeling studies of 1,3-di-n-propyl-2,4-dioxo-6-methyl-8-(substituted) 1,2,3,4-tetrahydro [1,2,4]-triazolo [3,4-f]-purines as adenosine receptor antagonists Farmaco. 60: 643-651. PMID 15961085 DOI: 10.1002/CHIN.200601220 |
0.487 |
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| 2005 |
Ferlin MG, Marzano C, Dalla Via L, Chilin A, Zagotto G, Guiotto A, Moro S. New water soluble pyrroloquinoline derivatives as new potential anticancer agents. Bioorganic & Medicinal Chemistry. 13: 4733-9. PMID 15936202 DOI: 10.1016/J.Bmc.2005.04.080 |
0.302 |
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| 2005 |
Pastorin G, Bolcato C, Cacciari B, Kachler S, Klotz K, Montopoli C, Moro S, Spalluto G. Synthesis, biological studies and molecular modeling investigation of 1,3-dimethyl-2,4-dioxo-6-methyl-8-(substituted) 1,2,3,4-tetrahydro [1,2,4]-triazolo [3,4-f]-purines as potential adenosine receptor antagonists Farmaco. 60: 299-306. PMID 15848204 DOI: 10.1016/J.Farmac.2005.01.008 |
0.5 |
|
| 2005 |
Catarzi D, Colotta V, Varano F, Calabri FR, Lenzi O, Filacchioni G, Trincavelli L, Martini C, Tralli A, Montopoli C, Moro S. 2-aryl-8-chloro-1,2,4-triazolo[1,5-a]quinoxalin-4-amines as highly potent A1 and A3 adenosine receptor antagonists. Bioorganic & Medicinal Chemistry. 13: 705-715. PMID 15653338 DOI: 10.1016/J.Bmc.2004.10.050 |
0.47 |
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| 2005 |
Moro S, Braiuca P, Deflorian F, Ferrari C, Pastorin G, Cacciari B, Baraldi PG, Varani K, Borea PA, Spalluto G. Combined target-based and ligand-based drug design approach as a tool to define a novel 3D-pharmacophore model of human A3 adenosine receptor antagonists: pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives as a key study. Journal of Medicinal Chemistry. 48: 152-62. PMID 15634009 DOI: 10.1021/Jm049662F |
0.512 |
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| 2005 |
Moro S, Spalluto G, Jacobson KA. Techniques: Recent developments in computer-aided engineering of GPCR ligands using the human adenosine A3 receptor as an example. Trends in Pharmacological Sciences. 26: 44-51. PMID 15629204 DOI: 10.1016/J.Tips.2004.11.006 |
0.568 |
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| 2005 |
Yarim M, Moro S, Huber R, Meier PJ, Kaseda C, Kashima T, Hagenbuch B, Folkers G. Application of QSAR analysis to organic anion transporting polypeptide 1a5 (Oatp1a5) substrates Bioorganic and Medicinal Chemistry. 13: 463-471. PMID 15598568 DOI: 10.1016/J.Bmc.2004.10.009 |
0.341 |
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| 2005 |
Cacciari B, Pastorin G, Moro S, Spalluto G. Potent and Selective A2A Adenosine Receptor Antagonists: Recent Improvement Frontiers in Medicinal Chemistry - Online. 2: 49-62. DOI: 10.2174/1567204052931069 |
0.446 |
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| 2004 |
Meggio F, Pagano MA, Moro S, Zagotto G, Ruzzene M, Sarno S, Cozza G, Bain J, Elliott M, Deana AD, Brunati AM, Pinna LA. Inhibition of protein kinase CK2 by condensed polyphenolic derivatives. An in vitro and in vivo study. Biochemistry. 43: 12931-6. PMID 15461466 DOI: 10.1021/Bi048999G |
0.337 |
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| 2004 |
Colotta, Catarzi D, Varano F, Calabri F, Lenzi O, Filacchioni G, Martini C, Trincavelli L, Deflorian F, Moro S. 1,2,4-triazolo[4,3-a]quinoxalin-1-one moiety as an attractive scaffold to develop new potent and selective human A3 adenosine receptor antagonists: synthesis, pharmacological, and ligand-receptor modeling studies. Journal of Medicinal Chemistry. 47: 3580-3590. PMID 15214785 DOI: 10.1021/Jm031136L |
0.502 |
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| 2004 |
Moro S, Beretta GL, Dal Ben D, Nitiss J, Palumbo M, Capranico G. Interaction model for anthracycline activity against DNA topoisomerase II. Biochemistry. 43: 7503-13. PMID 15182192 DOI: 10.1021/Bi0361665 |
0.339 |
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| 2004 |
Vedaldi D, Dolmella A, Moro S, Miolo G, Viola G, Caffieri S, Dall’Acqua F. 1-Thioangelicin: crystal structure, computer-aided studies and photobiological activity. Farmaco. 59: 125-132. PMID 14871504 DOI: 10.1016/J.Farmac.2003.09.004 |
0.328 |
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| 2004 |
Sissi C, Leo E, Moro S, Capranico G, Mancia A, Menta E, Krapcho AP, Palumbo M. Antitumor AZA-anthrapyrazoles: biophysical and biochemical studies on 8- and 9-aza regioisomers. Biochemical Pharmacology. 67: 631-642. PMID 14757163 DOI: 10.1016/J.Bcp.2003.09.035 |
0.375 |
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| 2003 |
Moro S, Deflorian F, Spalluto G, Pastorin G, Cacciari B, Kim SK, Jacobson KA. Demystifying the three dimensional structure of G protein-coupled receptors (GPCRs) with the aid of molecular modeling. Chemical Communications (Cambridge, England). 2949-56. PMID 14703805 DOI: 10.1039/B303439A |
0.696 |
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| 2003 |
Pastorin G, Ros TD, Spalluto G, Deflorian F, Moro S, Cacciari B, Baraldi PG, Gessi S, Varani K, Borea PA. Pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine derivatives as adenosine receptor antagonists. Influence of the N5 substituent on the affinity at the human A 3 and A 2B adenosine receptor subtypes: a molecular modeling investigation. Journal of Medicinal Chemistry. 46: 4287-4296. PMID 13678407 DOI: 10.1021/Jm030852K |
0.44 |
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| 2003 |
Sarno S, Moro S, Meggio F, Zagotto G, Dal Ben D, Ghisellini P, Battistutta R, Zanotti G, Pinna LA. Toward the rational design of protein kinase casein kinase-2 inhibitors. Pharmacology & Therapeutics. 93: 159-68. PMID 12191608 DOI: 10.1016/S0163-7258(02)00185-7 |
0.319 |
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| 2002 |
Guo D, von Kügelgen I, Moro S, Kim YC, Jacobson KA. Evidence for the Recognition of Non-Nucleotide Antagonists Within the Transmembrane Domains of the Human P2Y(1) Receptor. Drug Development Research. 57: 173-181. PMID 23105165 DOI: 10.1002/Ddr.10145 |
0.668 |
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| 2002 |
De Moliner E, Moro S, Sarno S, Zagotto G, Zanotti G, Pinna LA, Battistutta R. Inhibition of protein kinase CK2 by anthraquinone-related compounds. A structural insight. The Journal of Biological Chemistry. 278: 1831-6. PMID 12419810 DOI: 10.1074/Jbc.M209367200 |
0.334 |
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| 2002 |
Moro S, Jacobson KA. Molecular modeling as a tool to investigate molecular recognition in P2Y receptors. Current Pharmaceutical Design. 8: 2401-13. PMID 12369952 DOI: 10.2174/1381612023392892 |
0.594 |
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| 2002 |
Maconi A, Pastorin G, Da Ros T, Spalluto G, Gao ZG, Jacobson KA, Baraldi PG, Cacciari B, Varani K, Moro S, Borea PA. Synthesis, biological properties, and molecular modeling investigation of the first potent, selective, and water-soluble human A(3) adenosine receptor antagonist. Journal of Medicinal Chemistry. 45: 3579-82. PMID 12166930 DOI: 10.1021/Jm020974X |
0.585 |
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| 2002 |
Palumbo M, Gatto B, Moro S, Sissi C, Zagotto G. Sequence-specific interactions of drugs interfering with the topoisomerase-DNA cleavage complex. Biochimica Et Biophysica Acta. 1587: 145-54. PMID 12084456 DOI: 10.1016/S0925-4439(02)00077-7 |
0.309 |
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| 2002 |
Jacobson KA, Moro S, Manthey JA, West PL, Ji XD. Interactions of flavones and other phytochemicals with adenosine receptors. Advances in Experimental Medicine and Biology. 505: 163-71. PMID 12083460 DOI: 10.1007/978-1-4757-5235-9_15 |
0.598 |
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| 2002 |
Baraldi PG, Cacciari B, Moro S, Spalluto G, Pastorin G, Ros TD, Klotz K, Varani K, Gessi S, Borea PA. Synthesis, Biological Activity, and Molecular Modeling Investigation of New Pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine Derivatives as Human A3 Adenosine Receptor Antagonists Journal of Medicinal Chemistry. 45: 770-780. PMID 11831890 DOI: 10.1021/Jm0109614 |
0.481 |
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| 2002 |
Da Ros T, Vázquez E, Spalluto G, Moro S, Boutorine A, Prato M. Design, synthesis and biological properties of fulleropyrrolidine derivatives as potential DNA photo-probes Journal of Supramolecular Chemistry. 2: 327-334. DOI: 10.1016/S1472-7862(03)00089-3 |
0.308 |
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| 2002 |
Ros T, Bergamin M, Vázquez E, Spalluto G, Baiti B, Moro S, Boutorine A, Prato M. Synthesis and Molecular Modeling Studies of Fullerene−5,6,7-Trimethoxyindole−Oligonucleotide Conjugates as Possible Probes for Study of Photochemical Reactions in DNA Triple Helices European Journal of Organic Chemistry. 2002: 405-413. DOI: 10.1002/1099-0690(20022)2002:3<405::Aid-Ejoc405>3.0.Co;2-2 |
0.319 |
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| 2001 |
Palumbo M, Sissi C, Gatto B, Moro S, Zagotto G. Quantitation of camptothecin and related compounds. Journal of Chromatography B: Biomedical Sciences and Applications. 764: 121-140. PMID 11817024 DOI: 10.1016/S0378-4347(01)00345-0 |
0.303 |
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| 2001 |
Jacobson KA, Ravi RG, Nandanan E, Kim HS, Moro S, Kim YC, Lee K, Barak D, Marquez VE, Ji XD. Ribose modified nucleosides and nucleotides as ligands for purine receptors. Nucleosides, Nucleotides & Nucleic Acids. 20: 333-41. PMID 11563046 DOI: 10.1081/Ncn-100002305 |
0.768 |
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| 2001 |
Baraldi PG, Cacciari B, Moro S, Romagnoli R, Ji Xd, Jacobson KA, Gessi S, Borea PA, Spalluto G. Fluorosulfonyl- and bis-(beta-chloroethyl)amino-phenylamino functionalized pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives: irreversible antagonists at the human A3 adenosine receptor and molecular modeling studies. Journal of Medicinal Chemistry. 44: 2735-42. PMID 11495585 DOI: 10.1021/Jm010818A |
0.609 |
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| 2001 |
Jacobson KA, Moro S, Hoffmann C, Kim YC, Kim HS, Ravi RG, Harden TK, Boyer JL. Structurally related nucleotides as selective agonists and antagonists at P2Y1 receptors. Farmaco (Società Chimica Italiana : 1989). 56: 71-5. PMID 11347970 DOI: 10.1016/S0014-827X(01)01023-0 |
0.801 |
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| 2001 |
Sissi C, Moro S, Richter S, Gatto B, Menta E, Spinelli S, Krapcho AP, Zunino F, Palumbo M. DNA-interactive anticancer aza-anthrapyrazoles: biophysical and biochemical studies relevant to the mechanism of action. Molecular Pharmacology. 59: 96-103. PMID 11125029 DOI: 10.1124/Mol.59.1.96 |
0.349 |
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| 2000 |
Baraldi PG, Cacciari B, Romagnoli R, Spalluto G, Moro S, Klotz K, Leung E, Varani K, Gessi S, Merighi S, Borea PA. Pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives as highly potent and selective human A(3) adenosine receptor antagonists: influence of the chain at the N(8) pyrazole nitrogen. Journal of Medicinal Chemistry. 43: 4768-4780. PMID 11123985 DOI: 10.1021/Jm001047Y |
0.475 |
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| 2000 |
Cecchetti V, Parolin C, Moro S, Pecere T, Filipponi E, Calistri A, Tabarrini O, Gatto B, Palumbo M, Fravolini A, Palu G. 6-Aminoquinolones as new potential anti-HIV agents Journal of Medicinal Chemistry. 43: 3799-3802. PMID 11020296 DOI: 10.1021/Jm9903390 |
0.341 |
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| 2000 |
Viola G, Uriarte E, Gia O, Moro S. Interactions between DNA and benzo- and tetrahydrobenzofurocoumarins: thermodynamic and molecular modeling studies. Farmaco. 55: 276-286. PMID 10966159 DOI: 10.1016/S0014-827X(00)00041-0 |
0.35 |
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| 2000 |
Conte V, Bortolini O, Carraro M, Moro S. Models for the active site of vanadium-dependent haloperoxidases: insight into the solution structure of peroxo vanadium compounds. Journal of Inorganic Biochemistry. 80: 41-49. PMID 10885462 DOI: 10.1016/S0162-0134(00)00038-6 |
0.317 |
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| 2000 |
Zagotto G, Supino R, Favini E, Moro S, Palumbo M. New 1,4-anthracene-9,10-dione derivatives as potential anticancer agents. Farmaco. 55: 1-5. PMID 10755224 DOI: 10.1016/S0014-827X(99)00091-9 |
0.336 |
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| 2000 |
Nandanan E, Jang SY, Moro S, Kim HO, Siddiqui MA, Russ P, Marquez VE, Busson R, Herdewijn P, Harden TK, Boyer JL, Jacobson KA. Synthesis, biological activity, and molecular modeling of ribose-modified deoxyadenosine bisphosphate analogues as P2Y(1) receptor ligands. Journal of Medicinal Chemistry. 43: 829-42. PMID 10715151 DOI: 10.1021/Jm990249V |
0.56 |
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| 2000 |
Soldaini E, John S, Moro S, Bollenbacher J, Schindler U, Leonard WJ. DNA binding site selection of dimeric and tetrameric Stat5 proteins reveals a large repertoire of divergent tetrameric Stat5a binding sites. Molecular and Cellular Biology. 20: 389-401. PMID 10594041 DOI: 10.1128/Mcb.20.1.389-401.2000 |
0.324 |
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| 1999 |
Jacobson KA, Hoffmann C, Kim YC, Camaioni E, Nandanan E, Jang SY, Guo DP, Ji XD, von Kügelgen I, Moro S, Ziganshin AU, Rychkov A, King BF, Brown SG, Wildman SS, et al. Molecular recognition in P2 receptors: ligand development aided by molecular modeling and mutagenesis. Progress in Brain Research. 120: 119-32. PMID 10550992 DOI: 10.1016/S0079-6123(08)63550-5 |
0.807 |
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| 1999 |
Miolo G, Moro S, Vedaldi D, Caffieri S, Guiotto A, Dall’Acqua F. New benzoquinolizin-5-one derivatives as furocoumarin analogs: DNA-interactions and molecular modeling studies. Farmaco. 54: 551-561. PMID 10510852 DOI: 10.1016/S0014-827X(99)00062-2 |
0.307 |
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| 1999 |
Jiang J, Li AH, Jang SY, Chang L, Melman N, Moro S, Ji X, Lobkovsky EB, Clardy JC, Jacobson KA. Chiral resolution and stereospecificity of 6-phenyl-4-phenylethynyl- 1,4-dihydropyridines as selective A(3) adenosine receptor antagonists. Journal of Medicinal Chemistry. 42: 3055-65. PMID 10447949 DOI: 10.1021/Jm980688E |
0.529 |
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| 1999 |
Hoffmann C, Moro S, Nicholas RA, Harden TK, Jacobson KA. The role of amino acids in extracellular loops of the human P2Y1 receptor in surface expression and activation processes. The Journal of Biological Chemistry. 274: 14639-47. PMID 10329657 DOI: 10.1074/Jbc.274.21.14639 |
0.706 |
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| 1999 |
Moro S, Hoffmann C, Jacobson KA. Role of the extracellular loops of G protein-coupled receptors in ligand recognition: a molecular modeling study of the human P2Y1 receptor. Biochemistry. 38: 3498-507. PMID 10090736 DOI: 10.1021/Bi982369V |
0.735 |
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| 1999 |
Li AH, Moro S, Forsyth N, Melman N, Ji XD, Jacobson KA. Synthesis, CoMFA analysis, and receptor docking of 3,5-diacyl-2, 4-dialkylpyridine derivatives as selective A3 adenosine receptor antagonists. Journal of Medicinal Chemistry. 42: 706-21. PMID 10052977 DOI: 10.1021/Jm980550W |
0.601 |
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| 1998 |
Jacobson KA, Moro S, Kim YC, Li AH. A Adenosine Receptors: Protective vs. Damaging Effects Identified Using Novel Agonists and Antagonists. Drug Development Research. 45: 113-124. PMID 31808655 DOI: 10.1002/(Sici)1098-2299(199811/12)45:3/4<113::Aid-Ddr5>3.0.Co;2-S |
0.653 |
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| 1998 |
Sissi C, Bolgan L, Moro S, Zagotto G, Bailly C, Menta E, Capranico G, Palumbo M. DNA-binding preferences of bisantrene analogues: relevance to the sequence specificity of drug-mediated topoisomerase II poisoning. Molecular Pharmacology. 54: 1036-1045. PMID 9855632 DOI: 10.1124/Mol.54.6.1036 |
0.359 |
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| 1998 |
Moro S, Li AH, Jacobson KA. Molecular modeling studies of human A3 adenosine antagonists: structural homology and receptor docking. Journal of Chemical Information and Computer Sciences. 38: 1239-48. PMID 9845970 DOI: 10.1021/Ci980080E |
0.614 |
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| 1998 |
Li AH, Moro S, Melman N, Ji XD, Jacobson KA. Structure-activity relationships and molecular modeling of 3, 5-diacyl-2,4-dialkylpyridine derivatives as selective A3 adenosine receptor antagonists. Journal of Medicinal Chemistry. 41: 3186-201. PMID 9703464 DOI: 10.1021/Jm980093J |
0.586 |
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| 1998 |
Kim YC, de Zwart M, Chang L, Moro S, von Frijtag Drabbe Künzel JK, Melman N, IJzerman AP, Jacobson KA. Derivatives of the triazoloquinazoline adenosine antagonist (CGS 15943) having high potency at the human A2B and A3 receptor subtypes. Journal of Medicinal Chemistry. 41: 2835-45. PMID 9667972 DOI: 10.1021/Jm980094B |
0.671 |
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| 1998 |
Capranico G, Guano F, Moro S, Zagotto G, Sissi C, Gatto B, Zunino F, Menta E, Palumbo M. Mapping drug interactions at the covalent topoisomerase II-DNA complex by bisantrene/amsacrine congeners. Journal of Biological Chemistry. 273: 12732-12739. PMID 9582297 DOI: 10.1074/Jbc.273.21.12732 |
0.335 |
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| 1998 |
Moro S, Guo D, Camaioni E, Boyer JL, Harden TK, Jacobson KA. Human P2Y1 receptor: molecular modeling and site-directed mutagenesis as tools to identify agonist and antagonist recognition sites. Journal of Medicinal Chemistry. 41: 1456-66. PMID 9554879 DOI: 10.1021/Jm970684U |
0.739 |
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| 1998 |
Moro S, van Rhee AM, Sanders LH, Jacobson KA. Flavonoid derivatives as adenosine receptor antagonists: a comparison of the hypothetical receptor binding site based on a comparative molecular field analysis model. Journal of Medicinal Chemistry. 41: 46-52. PMID 9438021 DOI: 10.1021/Jm970446Z |
0.581 |
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| 1995 |
Conte V, Furia FD, Moro S. Studies directed toward the prediction of the oxidative reactivity of vanadium peroxo complexes in water. Correlations between the nature of the ligands and 51V-NMR chemical shifts Journal of Molecular Catalysis a-Chemical. 104: 159-169. DOI: 10.1016/1381-1169(95)00143-3 |
0.312 |
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