| Year |
Citation |
Score |
| 2024 |
Zelante T, Paolicelli G, Fallarino F, Gargaro M, Vascelli G, De Zuani M, Fric J, Laznickova P, Kohoutkova MH, Macchiarulo A, Dolciami D, Pieraccini G, Gaetani L, Scalisi G, Trevisan C, et al. A microbially produced AhR ligand promotes a Tph1-driven tolerogenic program in multiple sclerosis. Scientific Reports. 14: 6651. PMID 38509264 DOI: 10.1038/s41598-024-57400-8 |
0.766 |
|
| 2023 |
Bianconi E, Riccio A, Ruta L, Bigiotti C, Carotti A, Moretti S, Cerra B, Gioiello A, Ferlin S, Puxeddu E, Macchiarulo A. Turning a Tumor Microenvironment Pitfall into Opportunity: Discovery of Benzamidoxime as PD-L1 Ligand with pH-Dependent Potency. International Journal of Molecular Sciences. 24. PMID 36982608 DOI: 10.3390/ijms24065535 |
0.779 |
|
| 2022 |
Cerra B, Venturoni F, Souma M, Ceccarelli G, Lozza AM, Passeri D, De Franco F, Baxendale IR, Pellicciari R, Macchiarulo A, Gioiello A. Development of 3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-sulfate sodium salt (INT-767): Process optimization, synthesis and characterization of metabolites. European Journal of Medicinal Chemistry. 242: 114652. PMID 36049273 DOI: 10.1016/j.ejmech.2022.114652 |
0.772 |
|
| 2022 |
Luque-Navarro PM, Mariotto E, Ballarotto M, Rubbini G, Aguilar-Troyano FJ, Fasiolo A, Torretta A, Parisini E, Macchiarulo A, Laso A, Marco C, Viola G, Carrasco-Jimenez MP, López-Cara LC. Biological Evaluation of New Thienopyridinium and Thienopyrimidinium Derivatives as Human Choline Kinase Inhibitors. Pharmaceutics. 14. PMID 35456549 DOI: 10.3390/pharmaceutics14040715 |
0.796 |
|
| 2022 |
Mammoli A, Bianconi E, Ruta L, Riccio A, Bigiotti C, Souma M, Carotti A, Rossini S, Suvieri C, Pallotta MT, Grohmann U, Camaioni E, Macchiarulo A. Critical Assessment of a Structure-Based Screening Campaign for IDO1 Inhibitors: Tips and Pitfalls. International Journal of Molecular Sciences. 23. PMID 35409342 DOI: 10.3390/ijms23073981 |
0.803 |
|
| 2021 |
Mammoli A, Riccio A, Bianconi E, Coletti A, Camaioni E, Macchiarulo A. One Key and Multiple Locks: Substrate Binding in Structures of Tryptophan Dioxygenases and Hydroxylases. Chemmedchem. PMID 34137184 DOI: 10.1002/cmdc.202100312 |
0.795 |
|
| 2020 |
Riccio A, Coletti A, Dolciami D, Mammoli A, Cerra B, Moretti S, Gioiello A, Ferlin S, Puxeddu E, Macchiarulo A. The Stone Guest: How Does pH Affect Binding Properties of PD-1/PD-L1 Inhibitors ? Chemmedchem. PMID 33085193 DOI: 10.1002/cmdc.202000760 |
0.771 |
|
| 2020 |
Ferri M, Alunno M, Greco FA, Mammoli A, Saluti G, Carotti A, Sardella R, Macchiarulo A, Camaioni E, Liscio P. Fragment based drug design and diversity-oriented synthesis of carboxylic acid isosteres. Bioorganic & Medicinal Chemistry. 28: 115731. PMID 33007550 DOI: 10.1016/J.Bmc.2020.115731 |
0.366 |
|
| 2020 |
Serrán-Aguilera L, Mariotto E, Rubbini G, Castro Navas FF, Marco C, Carrasco-Jiménez MP, Ballarotto M, Macchiarulo A, Hurtado-Guerrero R, Viola G, Lopez-Cara LC. Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism. European Journal of Medicinal Chemistry. 207: 112797. PMID 32977218 DOI: 10.1016/J.Ejmech.2020.112797 |
0.802 |
|
| 2020 |
Mondanelli G, Di Battista V, Pellanera F, Mammoli A, Macchiarulo A, Gargaro M, Mavridou E, Matteucci C, Ruggeri L, Orabona C, Volpi C, Grohmann U, Mecucci C. A novel mutation of indoleamine 2,3-dioxygenase 1 causes a rapid proteasomal degradation and compromises protein function. Journal of Autoimmunity. 102509. PMID 32605792 DOI: 10.1016/J.Jaut.2020.102509 |
0.302 |
|
| 2020 |
Mammoli A, Coletti A, Ballarotto M, Riccio A, Carotti A, Grohmann U, Camaioni E, Macchiarulo A. New Insights from Crystallographic Data: Diversity of Structural Motifs and Molecular Recognition Properties between Groups of IDO1 Structures. Chemmedchem. PMID 32190988 DOI: 10.1002/Cmdc.202000116 |
0.789 |
|
| 2020 |
Olgac A, Carotti A, Kretzer C, Zergiebel S, Seeling A, Garscha U, Werz O, Macchiarulo A, Banoglu E. Discovery of novel 5-lipoxygenase-activating protein (FLAP) inhibitors by exploiting a multistep virtual screening protocol. Journal of Chemical Information and Modeling. PMID 32045233 DOI: 10.1021/Acs.Jcim.9B00941 |
0.81 |
|
| 2020 |
Mondanelli G, Coletti A, Greco FA, Pallotta MT, Orabona C, Iacono A, Belladonna ML, Albini E, Panfili E, Fallarino F, Gargaro M, Manni G, Matino D, Carvalho A, Cunha C, ... ... Macchiarulo A, et al. Positive allosteric modulation of indoleamine 2,3-dioxygenase 1 restrains neuroinflammation. Proceedings of the National Academy of Sciences of the United States of America. 117: 3848-3857. PMID 32024760 DOI: 10.1073/Pnas.1918215117 |
0.358 |
|
| 2020 |
Cerra B, Macchiarulo A, Carotti A, Camaioni E, Varfaj I, Sardella R, Gioiello A. Enantioselective HPLC Analysis to Assist the Chemical Exploration of Chiral Imidazolines. Molecules (Basel, Switzerland). 25. PMID 32024219 DOI: 10.3390/Molecules25030640 |
0.622 |
|
| 2020 |
Sardella R, Camaioni E, Macchiarulo A, Gioiello A, Marinozzi M, Carotti A. Computational studies in enantioselective liquid chromatography: Forty years of evolution in docking- and molecular dynamics-based simulations Trac Trends in Analytical Chemistry. 122: 115703. DOI: 10.1016/J.Trac.2019.115703 |
0.609 |
|
| 2019 |
Dolciami D, Ballarotto M, Gargaro M, López-Cara LC, Fallarino F, Macchiarulo A. Targeting Aryl hydrocarbon receptor for next-generation immunotherapies: Selective modulators (SAhRMs) versus rapidly metabolized ligands (RMAhRLs). European Journal of Medicinal Chemistry. 111842. PMID 31727470 DOI: 10.1016/J.Ejmech.2019.111842 |
0.801 |
|
| 2019 |
Greco FA, Albini E, Coletti A, Dolciami D, Carotti A, Orabona C, Grohmann U, Macchiarulo A. Tracking Hidden Binding Pockets Along the Molecular Recognition Path of l-Trp to Indoleamine 2,3-Dioxygenase 1. Chemmedchem. PMID 31724832 DOI: 10.1002/Cmdc.201900529 |
0.784 |
|
| 2019 |
Cerra B, Carotti A, Passeri D, Sardella R, Moroni G, Di Michele A, Macchiarulo A, Pellicciari R, Gioiello A. Exploiting Chemical Toolboxes for the Expedited Generation of Tetracyclic Quinolines as a Novel Class of PXR Agonists. Acs Medicinal Chemistry Letters. 10: 677-681. PMID 30996817 DOI: 10.1021/Acsmedchemlett.8B00459 |
0.789 |
|
| 2019 |
Schoubben A, Vivani R, Paolantoni M, Perinelli DR, Gioiello A, Macchiarulo A, Ricci M. D-leucine microparticles as an excipient to improve the aerosolization performances of dry powders for inhalation. European Journal of Pharmaceutical Sciences : Official Journal of the European Federation For Pharmaceutical Sciences. PMID 30677523 DOI: 10.1016/J.Ejps.2019.01.018 |
0.581 |
|
| 2018 |
Albini E, Coletti A, Greco F, Pallotta MT, Mondanelli G, Gargaro M, Belladonna ML, Volpi C, Bianchi R, Grohmann U, Macchiarulo A, Orabona C. Identification of a 2-propanol analogue modulating the non-enzymatic function of indoleamine 2,3-dioxygenase 1. Biochemical Pharmacology. 158: 286-297. PMID 30391205 DOI: 10.1016/J.Bcp.2018.10.033 |
0.394 |
|
| 2018 |
Volpi C, Fallarino F, Mondanelli G, Macchiarulo A, Grohmann U. Opportunities and challenges in drug discovery targeting metabotropic glutamate receptor 4. Expert Opinion On Drug Discovery. 1-13. PMID 29486616 DOI: 10.1080/17460441.2018.1443076 |
0.375 |
|
| 2018 |
Fiorito S, Greco FA, Coletti A, Dolciami D, Viola S, Grohmann U, Macchiarulo A. Microscale Thermophoresis and Docking Studies Suggest Lapachol and Auraptene are Ligands of IDO1 Natural Product Communications. 13: 1934578X1801300. DOI: 10.1177/1934578X1801300909 |
0.778 |
|
| 2017 |
Coletti A, Greco FA, Dolciami D, Camaioni E, Sardella R, Pallotta MT, Volpi C, Orabona C, Grohmann U, Macchiarulo A. Advances in indoleamine 2,3-dioxygenase 1 medicinal chemistry. Medchemcomm. 8: 1378-1392. PMID 30108849 DOI: 10.1039/C7Md00109F |
0.791 |
|
| 2017 |
Mostarda S, Passeri D, Carotti A, Cerra B, Colliva C, Benicchi T, Macchiarulo A, Pellicciari R, Gioiello A. Synthesis, physicochemical properties, and biological activity of bile acids 3-glucuronides: Novel insights into bile acid signalling and detoxification. European Journal of Medicinal Chemistry. 144: 349-358. PMID 29275233 DOI: 10.1016/J.Ejmech.2017.12.034 |
0.794 |
|
| 2017 |
Dolciami D, Gargaro M, Cerra B, Scalisi G, Bagnoli L, Servillo G, Della Fazia MA, Puccetti P, Quintana FJ, Fallarino F, Macchiarulo A. Binding Mode and Structure-Activity Relationships of ITE as Aryl Hydrocarbon Receptor (AhR) Agonist. Chemmedchem. PMID 29266750 DOI: 10.1002/Cmdc.201700669 |
0.814 |
|
| 2017 |
Sardella R, Macchiarulo A, Urbinati F, Ianni F, Carotti A, Kohout M, Lindner W, Péter A, Ilisz I. Exploring the enantiorecognition mechanism of Cinchona alkaloid-based zwitterionic chiral stationary phases and the basic trans-paroxetine enantiomers. Journal of Separation Science. PMID 29160617 DOI: 10.1002/Jssc.201701068 |
0.302 |
|
| 2017 |
Ferri M, Liscio P, Carotti A, Asciutti S, Sardella R, Macchiarulo A, Camaioni E. Targeting Wnt-driven cancers: Discovery of novel tankyrase inhibitors. European Journal of Medicinal Chemistry. PMID 29107427 DOI: 10.1016/J.Ejmech.2017.09.030 |
0.348 |
|
| 2017 |
Coletti A, Camponeschi F, Albini E, Greco FA, Maione V, Custodi C, Ianni F, Grohmann U, Orabona C, Cantini F, Macchiarulo A. Fragment-based approach to identify IDO1 inhibitor building blocks. European Journal of Medicinal Chemistry. 141: 169-177. PMID 29031064 DOI: 10.1016/J.Ejmech.2017.09.044 |
0.349 |
|
| 2017 |
Greco FA, Coletti A, Custodi C, Dolciami D, Michele AD, Carotti A, Marinozzi M, Schlinck N, Macchiarulo A. Binding properties of different categories of IDO1 inhibitors: a microscale thermophoresis study. Future Medicinal Chemistry. 9: 1327-1338. PMID 28771024 DOI: 10.4155/Fmc-2017-0022 |
0.787 |
|
| 2017 |
Mondanelli G, Bianchi R, Pallotta MT, Orabona C, Albini E, Iacono A, Belladonna ML, Vacca C, Fallarino F, Macchiarulo A, Ugel S, Bronte V, Gevi F, Zolla L, Verhaar A, et al. A Relay Pathway between Arginine and Tryptophan Metabolism Confers Immunosuppressive Properties on Dendritic Cells. Immunity. 46: 233-244. PMID 28214225 DOI: 10.1016/J.Immuni.2017.01.005 |
0.318 |
|
| 2016 |
Proietti G, Abelak KK, Bishop-Bailey D, Macchiarulo A, Nobeli I. Computational modelling of the binding of arachidonic acid to the human monooxygenase CYP2J2. Journal of Molecular Modeling. 22: 279. PMID 27796781 DOI: 10.1007/S00894-016-3134-6 |
0.395 |
|
| 2016 |
Lanni F, Carotti A, Sardella R, Macchiarulo A, Pucciarini L, Natalini B. Computational Studies For The Elucidation Of The Enantiomer Elution Order In Chiral Chromatography Systems. Mini Reviews in Medicinal Chemistry. PMID 27758684 DOI: 10.2174/1389557516666161018143629 |
0.31 |
|
| 2016 |
Albini E, Rosini V, Gargaro M, Mondanelli G, Belladonna ML, Pallotta MT, Volpi C, Fallarino F, Macchiarulo A, Antognelli C, Bianchi R, Vacca C, Puccetti P, Grohmann U, Orabona C. Distinct roles of immunoreceptor tyrosine-based motifs in immunosuppressive indoleamine 2,3-dioxygenase 1. Journal of Cellular and Molecular Medicine. PMID 27696702 DOI: 10.1111/Jcmm.12954 |
0.333 |
|
| 2016 |
Pellicciari R, Passeri D, De Franco F, Mostarda S, Filipponi P, Colliva C, Gadaleta R, Franco P, Carotti A, Macchiarulo A, Roda A, Moschetta A, Gioiello A. Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. Journal of Medicinal Chemistry. PMID 27652492 DOI: 10.1021/Acs.Jmedchem.6B01126 |
0.786 |
|
| 2016 |
Greco FA, Bournique A, Coletti A, Custodi C, Dolciami D, Carotti A, Macchiarulo A. Docking Studies and Molecular Dynamic Simulations Reveal Different Features of IDO1 Structure. Molecular Informatics. 35: 449-59. PMID 27546049 DOI: 10.1002/Minf.201501038 |
0.792 |
|
| 2016 |
Levent S, Gerstmeier J, Olgaç A, Nikels F, Garscha U, Carotti A, Macchiarulo A, Werz O, Banoglu E, Çalışkan B. Synthesis and biological evaluation of C(5)-substituted derivatives of leukotriene biosynthesis inhibitor BRP-7. European Journal of Medicinal Chemistry. 122: 510-519. PMID 27423639 DOI: 10.1016/J.Ejmech.2016.07.004 |
0.781 |
|
| 2016 |
Banoglu E, Çelikoğlu E, Völker S, Olgaç A, Gerstmeier J, Garscha U, Çalışkan B, Schubert US, Carotti A, Macchiarulo A, Werz O. 4,5-Diarylisoxazol-3-carboxylic acids: A new class of leukotriene biosynthesis inhibitors potentially targeting 5-lipoxygenase-activating protein (FLAP). European Journal of Medicinal Chemistry. 113: 1-10. PMID 26922224 DOI: 10.1016/J.Ejmech.2016.02.027 |
0.808 |
|
| 2016 |
Greco FA, Coletti A, Camaioni E, Carotti A, Marinozzi M, Gioiello A, Macchiarulo A. The Janus-faced nature of IDO1 in infectious diseases: challenges and therapeutic opportunities. Future Medicinal Chemistry. 8: 39-54. PMID 26692277 DOI: 10.4155/Fmc.15.165 |
0.62 |
|
| 2016 |
Cerra B, Mostarda S, Custodi C, Macchiarulo A, Gioiello A. Integrating multicomponent flow synthesis and computational approaches for the generation of a tetrahydroquinoline compound based library Medchemcomm. 7: 439-446. DOI: 10.1039/C5Md00455A |
0.6 |
|
| 2015 |
Serrán-Aguilera L, Nuti R, López-Cara LC, Mezo MÁ, Macchiarulo A, Entrena A, Hurtado-Guerrero R. Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase α1. Molecular Informatics. 34: 458-66. PMID 27490389 DOI: 10.1002/Minf.201400140 |
0.417 |
|
| 2015 |
Passeri D, Camaioni E, Liscio P, Sabbatini P, Ferri M, Carotti A, Giacchè N, Pellicciari R, Gioiello A, Macchiarulo A. Concepts and Molecular Aspects in the Polypharmacology of PARP-1 Inhibitors. Chemmedchem. PMID 26424664 DOI: 10.1002/Cmdc.201500391 |
0.785 |
|
| 2015 |
Pellegrino M, Mancini F, Lucà R, Coletti A, Giacchè N, Manni I, Arisi I, Florenzano F, Teveroni E, Buttarelli M, Fici L, Brandi R, Bruno T, Fanciulli M, D'Onofrio M, ... ... Macchiarulo A, et al. Targeting the MDM2/MDM4 Interaction Interface as a Promising Approach for p53 Reactivation Therapy. Cancer Research. 75: 4560-72. PMID 26359458 DOI: 10.1158/0008-5472.Can-15-0439 |
0.697 |
|
| 2014 |
Serran-Aguilera L, Nuti R, López-Cara LC, Ríos-Marco P, Carrasco MP, Marco C, Entrena A, Macchiarulo A, Hurtado-Guerrero R. Choline kinase active site provides features for designing versatile inhibitors. Current Topics in Medicinal Chemistry. 14: 2684-93. PMID 25515750 DOI: 10.2174/1568026614666141216093337 |
0.382 |
|
| 2014 |
Nuti R, Gargaro M, Matino D, Dolciami D, Grohmann U, Puccetti P, Fallarino F, Macchiarulo A. Ligand binding and functional selectivity of L-tryptophan metabolites at the mouse aryl hydrocarbon receptor (mAhR). Journal of Chemical Information and Modeling. 54: 3373-83. PMID 25402742 DOI: 10.1021/Ci5005459 |
0.808 |
|
| 2014 |
Carotti A, Marinozzi M, Custodi C, Cerra B, Pellicciari R, Gioiello A, Macchiarulo A. Beyond bile acids: targeting Farnesoid X Receptor (FXR) with natural and synthetic ligands. Current Topics in Medicinal Chemistry. 14: 2129-42. PMID 25388537 DOI: 10.2174/1568026614666141112094058 |
0.811 |
|
| 2014 |
Gioiello A, Cerra B, Mostarda S, Guercini C, Pellicciari R, Macchiarulo A. Bile acid derivatives as ligands of the farnesoid x receptor: molecular determinants for bile acid binding and receptor modulation. Current Topics in Medicinal Chemistry. 14: 2159-74. PMID 25388535 DOI: 10.2174/1568026614666141112100208 |
0.81 |
|
| 2014 |
Pallotta MT, Fallarino F, Matino D, Macchiarulo A, Orabona C. AhR-Mediated, Non-Genomic Modulation of IDO1 Function. Frontiers in Immunology. 5: 497. PMID 25360135 DOI: 10.3389/Fimmu.2014.00497 |
0.374 |
|
| 2014 |
Liscio P, Carotti A, Asciutti S, Ferri M, Pires MM, Valloscuro S, Ziff J, Clark NR, Macchiarulo A, Aaronson SA, Pellicciari R, Camaioni E. Scaffold hopping approach on the route to selective tankyrase inhibitors. European Journal of Medicinal Chemistry. 87: 611-23. PMID 25299683 DOI: 10.1016/J.Ejmech.2014.10.007 |
0.712 |
|
| 2014 |
Ayroldi E, Macchiarulo A, Riccardi C. Targeting glucocorticoid side effects: selective glucocorticoid receptor modulator or glucocorticoid-induced leucine zipper? A perspective. Faseb Journal : Official Publication of the Federation of American Societies For Experimental Biology. 28: 5055-70. PMID 25205742 DOI: 10.1096/Fj.14-254755 |
0.339 |
|
| 2014 |
Marchand JR, Carotti A, Passeri D, Filipponi P, Liscio P, Camaioni E, Pellicciari R, Gioiello A, Macchiarulo A. Investigating the allosteric reverse signalling of PARP inhibitors with microsecond molecular dynamic simulations and fluorescence anisotropy. Biochimica Et Biophysica Acta. 1844: 1765-72. PMID 25062913 DOI: 10.1016/J.Bbapap.2014.07.012 |
0.786 |
|
| 2014 |
Liscio P, Carotti A, Asciutti S, Karlberg T, Bellocchi D, Llacuna L, Macchiarulo A, Aaronson SA, Schüler H, Pellicciari R, Camaioni E. Design, synthesis, crystallographic studies, and preliminary biological appraisal of new substituted triazolo[4,3-b]pyridazin-8-amine derivatives as tankyrase inhibitors. Journal of Medicinal Chemistry. 57: 2807-12. PMID 24527792 DOI: 10.1021/Jm401356T |
0.717 |
|
| 2014 |
Gioiello A, Venturoni F, Tamimi S, Custodi C, Pellicciari R, MacChiarulo A. Conformational properties of cholic acid, a lead compound at the crossroads of bile acid inspired drug discovery Medchemcomm. 5: 750-757. DOI: 10.1039/C4Md00024B |
0.795 |
|
| 2014 |
Asciutti S, Ferretti E, Valloscuro S, Pires MM, Llacuna L, Esposito D, Liscio P, Macchiarulo A, Camaioni E, Pellicciari R, Aaronson SA. Mo1915 Novel Wnt-Targeted Therapy Inhibitors for Hepatocellular Carcinoma Gastroenterology. 146: S-690. DOI: 10.1016/S0016-5085(14)62505-1 |
0.667 |
|
| 2013 |
Macchiarulo A, Gioiello A, Thomas C, Pols TW, Nuti R, Ferrari C, Giacchè N, De Franco F, Pruzanski M, Auwerx J, Schoonjans K, Pellicciari R. Probing the Binding Site of Bile Acids in TGR5. Acs Medicinal Chemistry Letters. 4: 1158-62. PMID 24900622 DOI: 10.1021/Ml400247K |
0.81 |
|
| 2013 |
Liscio P, Camaioni E, Carotti A, Pellicciari R, Macchiarulo A. From polypharmacology to target specificity: the case of PARP inhibitors. Current Topics in Medicinal Chemistry. 13: 2939-54. PMID 24171773 DOI: 10.2174/15680266113136660209 |
0.714 |
|
| 2013 |
Antolin AA, Carotti A, Nuti R, Hakkaya A, Camaioni E, Mestres J, Pellicciari R, Macchiarulo A. Exploring the effect of PARP-1 flexibility in docking studies. Journal of Molecular Graphics & Modelling. 45: 192-201. PMID 24056306 DOI: 10.1016/J.Jmgm.2013.08.006 |
0.732 |
|
| 2013 |
Sabbatini P, Filipponi P, Sardella R, Natalini B, Nuti R, Macchiarulo A, Pellicciari R, Gioiello A. Synthesis and quantitative structure-property relationships of side chain-modified hyodeoxycholic acid derivatives. Molecules (Basel, Switzerland). 18: 10497-513. PMID 23999724 DOI: 10.3390/Molecules180910497 |
0.81 |
|
| 2013 |
Ekblad T, Camaioni E, Schüler H, Macchiarulo A. PARP inhibitors: polypharmacology versus selective inhibition. The Febs Journal. 280: 3563-75. PMID 23601167 DOI: 10.1111/Febs.12298 |
0.344 |
|
| 2013 |
Macchiarulo A, Carotti A, Cellanetti M, Sardella R, Gioiello A. Navigations of chemical space to further the understanding of polypharmacology in human nuclear receptors Medchemcomm. 4: 216-227. DOI: 10.1039/C2Md20157G |
0.645 |
|
| 2012 |
Eren G, Macchiarulo A, Banoglu E. From Molecular Docking to 3D-Quantitative Structure-Activity Relationships (3D-QSAR): Insights into the Binding Mode of 5-Lipoxygenase Inhibitors. Molecular Informatics. 31: 123-34. PMID 27476957 DOI: 10.1002/Minf.201100101 |
0.688 |
|
| 2012 |
Pellicciari R, Gioiello A, Sabbatini P, Venturoni F, Nuti R, Colliva C, Rizzo G, Adorini L, Pruzanski M, Roda A, Macchiarulo A. Avicholic Acid: A Lead Compound from Birds on the Route to Potent TGR5 Modulators. Acs Medicinal Chemistry Letters. 3: 273-7. PMID 24900463 DOI: 10.1021/Ml200256D |
0.798 |
|
| 2012 |
Custodi C, Nuti R, Oprea TI, Macchiarulo A. Fitting the complexity of GPCRs modulation into simple hypotheses of ligand design. Journal of Molecular Graphics & Modelling. 38: 70-81. PMID 23079642 DOI: 10.1016/J.Jmgm.2012.07.002 |
0.391 |
|
| 2012 |
Gioiello A, Rosatelli E, Nuti R, Macchiarulo A, Pellicciari R. Patented TGR5 modulators: a review (2006 - present). Expert Opinion On Therapeutic Patents. 22: 1399-414. PMID 23039746 DOI: 10.1517/13543776.2012.733000 |
0.783 |
|
| 2012 |
Sardella R, Macchiarulo A, Carotti A, Ianni F, Rubiño ME, Natalini B. Chiral mobile phase in ligand-exchange chromatography of amino acids: exploring the copper(II) salt anion effect with a computational approach. Journal of Chromatography. A. 1269: 316-24. PMID 22926052 DOI: 10.1016/J.Chroma.2012.08.018 |
0.322 |
|
| 2012 |
Marinozzi M, Carotti A, Sansone E, Macchiarulo A, Rosatelli E, Sardella R, Natalini B, Rizzo G, Adorini L, Passeri D, De Franco F, Pruzanski M, Pellicciari R. Pyrazole[3,4-e][1,4]thiazepin-7-one derivatives as a novel class of Farnesoid X Receptor (FXR) agonists. Bioorganic & Medicinal Chemistry. 20: 3429-45. PMID 22564381 DOI: 10.1016/J.Bmc.2012.04.021 |
0.72 |
|
| 2012 |
Daidone F, Montioli R, Paiardini A, Cellini B, Macchiarulo A, Giardina G, Bossa F, Borri Voltattorni C. Identification by virtual screening and in vitro testing of human DOPA decarboxylase inhibitors. Plos One. 7: e31610. PMID 22384042 DOI: 10.1371/Journal.Pone.0031610 |
0.395 |
|
| 2012 |
Wahlberg E, Karlberg T, Kouznetsova E, Markova N, Macchiarulo A, Thorsell AG, Pol E, Frostell Å, Ekblad T, Öncü D, Kull B, Robertson GM, Pellicciari R, Schüler H, Weigelt J. Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors. Nature Biotechnology. 30: 283-8. PMID 22343925 DOI: 10.1038/Nbt.2121 |
0.731 |
|
| 2011 |
Natalini B, Sardella R, Macchiarulo A, Marinozzi M, Camaioni E, Pellicciari R. Mechanistic Aspects and Applications of Chiral Ligand-Exchange Chromatography. Advances in Chromatography. 49: 71-134. PMID 26434236 DOI: 10.1201/B10721-4 |
0.691 |
|
| 2011 |
Marcotullio MC, Messina F, Curini M, Macchiarulo A, Cellanetti M, Ricci D, Giamperi L, Bucchini A, Minelli A, Mierla AL, Bellezza I. Protective effects of Commiphora erythraea resin constituents against cellular oxidative damage. Molecules (Basel, Switzerland). 16: 10357-69. PMID 22169939 DOI: 10.3390/Molecules161210357 |
0.305 |
|
| 2011 |
Gioiello A, Macchiarulo A, Carotti A, Filipponi P, Costantino G, Rizzo G, Adorini L, Pellicciari R. Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine. Bioorganic & Medicinal Chemistry. 19: 2650-8. PMID 21459580 DOI: 10.1016/J.Bmc.2011.03.004 |
0.797 |
|
| 2011 |
Macchiarulo A, Giacchè N, Mancini F, Puxeddu E, Moretti F, Pellicciari R. Alternative strategies for targeting mouse double minute 2 activity with small molecules: novel patents on the horizon? Expert Opinion On Therapeutic Patents. 21: 287-94. PMID 21342053 DOI: 10.1517/13543776.2011.546349 |
0.712 |
|
| 2011 |
Pellicciari R, Camaioni E, Gilbert AM, Macchiarulo A, Bikker JA, Shah F, Bard J, Costantino G, Gioiello A, Robertson GM, Sabbatini P, Venturoni F, Liscio P, Carotti A, Bellocchi D, et al. Discovery and characterization of novel potent PARP-1 inhibitors endowed with neuroprotective properties: From TIQ-A to HYDAMTIQ Medchemcomm. 2: 559-565. DOI: 10.1039/C1Md00021G |
0.795 |
|
| 2011 |
Macchiarulo A, Giacchè N, Carotti A, Moretti F, Pellicciari R. Expanding the horizon of chemotherapeutic targets: From MDM2 to MDMX (MDM4) Medchemcomm. 2: 455-465. DOI: 10.1039/C0Md00238K |
0.691 |
|
| 2011 |
Gioiello A, Sabbatini P, Rosatelli E, MacChiarulo A, Pellicciari R. Divergent and stereoselective synthesis of dafachronic acids Tetrahedron. 67: 1924-1929. DOI: 10.1016/J.Tet.2011.01.022 |
0.775 |
|
| 2010 |
Natalini B, Giacchè N, Sardella R, Ianni F, Macchiarulo A, Pellicciari R. Computational studies for the elucidation of the enantiomer elution order of amino acids in chiral ligand-exchange chromatography. Journal of Chromatography. A. 1217: 7523-7. PMID 20977972 DOI: 10.1016/J.Chroma.2010.10.001 |
0.708 |
|
| 2010 |
Cellanetti M, Gunda V, Wang L, Macchiarulo A, Pellicciari R. Insights into the binding mode and mechanism of action of some atypical retinoids as ligands of the small heterodimer partner (SHP). Journal of Computer-Aided Molecular Design. 24: 943-56. PMID 20882396 DOI: 10.1007/S10822-010-9386-9 |
0.744 |
|
| 2010 |
Dezi C, Carotti A, Magnani M, Baroni M, Padova A, Cruciani G, Macchiarulo A, Pellicciari R. Molecular interaction fields and 3D-QSAR studies of p53-MDM2 inhibitors suggest additional features of ligand-target interaction. Journal of Chemical Information and Modeling. 50: 1451-65. PMID 20726601 DOI: 10.1021/Ci100113P |
0.731 |
|
| 2010 |
Zhou T, Zhang Y, Macchiarulo A, Yang Z, Cellanetti M, Coto E, Xu P, Pellicciari R, Wang L. Novel polymorphisms of nuclear receptor SHP associated with functional and structural changes. The Journal of Biological Chemistry. 285: 24871-81. PMID 20516075 DOI: 10.1074/Jbc.M110.133280 |
0.694 |
|
| 2010 |
Natalini B, Sardella R, Giacchè N, Palmiotto S, Camaioni E, Marinozzi M, Macchiarulo A, Pellicciari R. Chiral ligand-exchange separation and resolution of extremely rigid glutamate analogs: 1-aminospiro[2.2]pentyl-1,4-dicarboxylic acids. Analytical and Bioanalytical Chemistry. 397: 1997-2011. PMID 20496034 DOI: 10.1007/S00216-010-3669-9 |
0.699 |
|
| 2010 |
Mancini F, Di Conza G, Monti O, Macchiarulo A, Pellicciari R, Pontecorvi A, Moretti F. Puzzling over MDM4-p53 network. The International Journal of Biochemistry & Cell Biology. 42: 1080-3. PMID 20417304 DOI: 10.1016/J.Biocel.2010.04.010 |
0.684 |
|
| 2009 |
Pellicciari R, Gioiello A, Macchiarulo A, Thomas C, Rosatelli E, Natalini B, Sardella R, Pruzanski M, Roda A, Pastorini E, Schoonjans K, Auwerx J. Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity. Journal of Medicinal Chemistry. 52: 7958-61. PMID 20014870 DOI: 10.1021/Jm901390P |
0.789 |
|
| 2009 |
Macchiarulo A, Thornton JM, Nobeli I. Mapping human metabolic pathways in the small molecule chemical space. Journal of Chemical Information and Modeling. 49: 2272-89. PMID 19795883 DOI: 10.1021/Ci900196U |
0.724 |
|
| 2009 |
Thomas C, Gioiello A, Noriega L, Strehle A, Oury J, Rizzo G, Macchiarulo A, Yamamoto H, Mataki C, Pruzanski M, Pellicciari R, Auwerx J, Schoonjans K. TGR5-mediated bile acid sensing controls glucose homeostasis. Cell Metabolism. 10: 167-77. PMID 19723493 DOI: 10.1016/J.Cmet.2009.08.001 |
0.772 |
|
| 2009 |
Bellocchi D, Macchiarulo A, Carotti A, Pellicciari R. Quantum mechanics/molecular mechanics (QM/MM) modeling of the irreversible transamination of L-kynurenine to kynurenic acid: the round dance of kynurenine aminotransferase II. Biochimica Et Biophysica Acta. 1794: 1802-12. PMID 19715778 DOI: 10.1016/J.Bbapap.2009.08.016 |
0.702 |
|
| 2009 |
Carotti A, Macchiarulo A, Giacchè N, Pellicciari R. Targeting the conformational transitions of MDM2 and MDMX: insights into key residues affecting p53 recognition. Proteins. 77: 524-35. PMID 19507240 DOI: 10.1002/Prot.22464 |
0.694 |
|
| 2009 |
Macchiarulo A, Pellicciari R. MDM2/MDMX inhibitor peptide: WO2008106507. Expert Opinion On Therapeutic Patents. 19: 721-6. PMID 19441944 DOI: 10.1517/13543770902755137 |
0.695 |
|
| 2009 |
Fringuelli R, Giacchè N, Milanese L, Cenci E, Macchiarulo A, Vecchiarelli A, Costantino G, Schiaffella F. Bulky 1,4-benzoxazine derivatives with antifungal activity. Bioorganic & Medicinal Chemistry. 17: 3838-46. PMID 19433362 DOI: 10.1016/J.Bmc.2009.04.051 |
0.357 |
|
| 2009 |
Formentini L, Macchiarulo A, Cipriani G, Camaioni E, Rapizzi E, Pellicciari R, Moroni F, Chiarugi A. Poly(ADP-ribose) catabolism triggers AMP-dependent mitochondrial energy failure. The Journal of Biological Chemistry. 284: 17668-76. PMID 19411252 DOI: 10.1074/Jbc.M109.002931 |
0.662 |
|
| 2009 |
Natalini B, Sardella R, Carbone G, Macchiarulo A, Pellicciari R. The effect of the copper(II) salt anion in the Chiral Ligand-Exchange Chromatography of amino acids. Analytica Chimica Acta. 638: 225-33. PMID 19327465 DOI: 10.1016/J.Aca.2009.02.031 |
0.698 |
|
| 2009 |
Macchiarulo A, Nuti R, Eren G, Pellicciari R. Charting the chemical space of target sites: insights into the binding modes of amine and amidine groups. Journal of Chemical Information and Modeling. 49: 900-12. PMID 19292498 DOI: 10.1021/Ci800414V |
0.708 |
|
| 2009 |
Natalini B, Sardella R, Camaioni E, Macchiarulo A, Gioiello A, Carbone G, Pellicciari R. Derived chromatographic indices as effective tools to study the self-aggregation process of bile acids. Journal of Pharmaceutical and Biomedical Analysis. 50: 613-21. PMID 19081222 DOI: 10.1016/J.Jpba.2008.10.035 |
0.782 |
|
| 2009 |
Filosa R, Carmela Fulco M, Marinozzi M, Giacchè N, Macchiarulo A, Peduto A, Massa A, de Caprariis P, Thomsen C, Christoffersen CT, Pellicciari R. Design, synthesis and biological evaluation of novel bicyclo[1.1.1]pentane-based omega-acidic amino acids as glutamate receptors ligands. Bioorganic & Medicinal Chemistry. 17: 242-50. PMID 19042134 DOI: 10.1016/J.Bmc.2008.11.015 |
0.72 |
|
| 2009 |
Macchiarulo A, Camaioni E, Nuti R, Pellicciari R. Highlights at the gate of tryptophan catabolism: a review on the mechanisms of activation and regulation of indoleamine 2,3-dioxygenase (IDO), a novel target in cancer disease. Amino Acids. 37: 219-29. PMID 18612775 DOI: 10.1007/S00726-008-0137-3 |
0.714 |
|
| 2008 |
Macchiarulo A, Giacchè N, Carotti A, Baroni M, Cruciani G, Pellicciari R. Targeting the conformational transitions of MDM2 and MDMX: insights into dissimilarities and similarities of p53 recognition. Journal of Chemical Information and Modeling. 48: 1999-2009. PMID 18826207 DOI: 10.1021/Ci800146M |
0.706 |
|
| 2008 |
Dawson MI, Xia Z, Jiang T, Ye M, Fontana JA, Farhana L, Patel B, Xue LP, Bhuiyan M, Pellicciari R, Macchiarulo A, Nuti R, Zhang XK, Han YH, Tautz L, et al. Adamantyl-substituted retinoid-derived molecules that interact with the orphan nuclear receptor small heterodimer partner: effects of replacing the 1-adamantyl or hydroxyl group on inhibition of cancer cell growth, induction of cancer cell apoptosis, and inhibition of SRC homology 2 domain-containing protein tyrosine phosphatase-2 activity. Journal of Medicinal Chemistry. 51: 5650-62. PMID 18759424 DOI: 10.1021/Jm800456K |
0.727 |
|
| 2008 |
Macchiarulo A, Gioiello A, Thomas C, Massarotti A, Nuti R, Rosatelli E, Sabbatini P, Schoonjans K, Auwerx J, Pellicciari R. Molecular field analysis and 3D-quantitative structure-activity relationship study (MFA 3D-QSAR) unveil novel features of bile acid recognition at TGR5. Journal of Chemical Information and Modeling. 48: 1792-801. PMID 18698841 DOI: 10.1021/Ci800196H |
0.803 |
|
| 2008 |
Natalini B, Macchiarulo A, Sardella R, Massarotti A, Pellicciari R. Descriptive structure-separation relationship studies in chiral ligand-exchange chromatography. Journal of Separation Science. 31: 2395-403. PMID 18646268 DOI: 10.1002/Jssc.200800102 |
0.683 |
|
| 2008 |
Natalini B, Sardella R, Macchiarulo A, Pellicciari R. Cysteine-based chiral selectors for the ligand-exchange separation of amino acids. Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences. 875: 108-17. PMID 18579457 DOI: 10.1016/J.Jchromb.2008.06.007 |
0.717 |
|
| 2008 |
Pellicciari R, Venturoni F, Bellocchi D, Carotti A, Marinozzi M, Macchiarulo A, Amori L, Schwarcz R. Sequence variants in kynurenine aminotransferase II (KAT II) orthologs determine different potencies of the inhibitor S-ESBA. Chemmedchem. 3: 1199-202. PMID 18537204 DOI: 10.1002/Cmdc.200800109 |
0.668 |
|
| 2008 |
Sato H, Macchiarulo A, Thomas C, Gioiello A, Une M, Hofmann AF, Saladin R, Schoonjans K, Pellicciari R, Auwerx J. Novel potent and selective bile acid derivatives as TGR5 agonists: biological screening, structure-activity relationships, and molecular modeling studies. Journal of Medicinal Chemistry. 51: 1831-41. PMID 18307294 DOI: 10.1021/Jm7015864 |
0.818 |
|
| 2008 |
Natalini B, Sardella R, Macchiarulo A, Pellicciari R. S-trityl-(R)-cysteine, a powerful chiral selector for the analytical and preparative ligand-exchange chromatography of amino acids. Journal of Separation Science. 31: 696-704. PMID 18266296 DOI: 10.1002/Jssc.200700511 |
0.695 |
|
| 2007 |
Pellicciari R, Marinozzi M, Macchiarulo A, Fulco MC, Gafarova J, Serpi M, Giorgi G, Nielsen S, Thomsen C. Synthesis, molecular modeling studies, and preliminary pharmacological characterization of all possible 2-(2'-sulfonocyclopropyl)glycine stereoisomers as conformationally constrained L-homocysteic acid analogs. Journal of Medicinal Chemistry. 50: 4630-41. PMID 17725337 DOI: 10.1021/Jm070322E |
0.731 |
|
| 2007 |
Pellicciari R, Sato H, Gioiello A, Costantino G, Macchiarulo A, Sadeghpour BM, Giorgi G, Schoonjans K, Auwerx J. Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5. Journal of Medicinal Chemistry. 50: 4265-8. PMID 17685603 DOI: 10.1021/Jm070633P |
0.794 |
|
| 2007 |
Macchiarulo A, Nuti R, Bellocchi D, Camaioni E, Pellicciari R. Molecular docking and spatial coarse graining simulations as tools to investigate substrate recognition, enhancer binding and conformational transitions in indoleamine-2,3-dioxygenase (IDO). Biochimica Et Biophysica Acta. 1774: 1058-68. PMID 17644054 DOI: 10.1016/J.Bbapap.2007.06.007 |
0.712 |
|
| 2007 |
Macchiarulo A, Pellicciari R. Exploring the other side of biologically relevant chemical space: insights into carboxylic, sulfonic and phosphonic acid bioisosteric relationships. Journal of Molecular Graphics & Modelling. 26: 728-39. PMID 17544772 DOI: 10.1016/J.Jmgm.2007.04.010 |
0.723 |
|
| 2007 |
Milanese L, Giacchè N, Schiaffella F, Vecchiarelli A, Macchiarulo A, Fringuelli R. Oxime and oxime ether derivatives of 1,4-benzothiazine related to oxiconazole. Chemmedchem. 2: 1208-13. PMID 17541993 DOI: 10.1002/Cmdc.200700066 |
0.339 |
|
| 2007 |
Rosati O, Curini M, Marcotullio MC, Macchiarulo A, Perfumi M, Mattioli L, Rismondo F, Cravotto G. Synthesis, docking studies and anti-inflammatory activity of 4,5,6,7-tetrahydro-2H-indazole derivatives. Bioorganic & Medicinal Chemistry. 15: 3463-73. PMID 17382550 DOI: 10.1016/J.Bmc.2007.03.006 |
0.332 |
|
| 2007 |
Natalini B, Sardella R, Macchiarulo A, Natalini S, Pellicciari R. (S)-(-)-alpha,alpha-Di(2-naphthyl)-2-pyrrolidinemethanol, a useful tool to study the recognition mechanism in chiral ligand-exchange chromatography. Journal of Separation Science. 30: 21-7. PMID 17313137 DOI: 10.1002/Jssc.200600242 |
0.687 |
|
| 2007 |
Di Marco B, Massetti M, Bruscoli S, Macchiarulo A, Di Virgilio R, Velardi E, Donato V, Migliorati G, Riccardi C. Glucocorticoid-induced leucine zipper (GILZ)/NF-kappaB interaction: role of GILZ homo-dimerization and C-terminal domain. Nucleic Acids Research. 35: 517-28. PMID 17169985 DOI: 10.1093/Nar/Gkl1080 |
0.313 |
|
| 2006 |
Ferrari C, Macchiarulo A, Costantino G, Pellicciari R. Pharmacophore model for bile acids recognition by the FPR receptor. Journal of Computer-Aided Molecular Design. 20: 295-303. PMID 16972170 DOI: 10.1007/S10822-006-9055-1 |
0.756 |
|
| 2006 |
Pellicciari R, Filosa R, Fulco MC, Marinozzi M, Macchiarulo A, Novak C, Natalini B, Hermit MB, Nielsen S, Sager TN, Stensbøl TB, Thomsen C. Synthesis and preliminary biological evaluation of 2'-substituted 2-(3'-carboxybicyclo[1.1.1]pentyl)glycine derivatives as group I selective metabotropic glutamate receptor ligands. Chemmedchem. 1: 358-65. PMID 16892370 DOI: 10.1002/Cmdc.200500071 |
0.733 |
|
| 2006 |
Schiaffella F, Macchiarulo A, Milanese L, Vecchiarelli A, Fringuelli R. Novel ketoconazole analogues based on the replacement of 2,4-dichlorophenyl group with 1,4-benzothiazine moiety: design, synthesis, and microbiological evaluation. Bioorganic & Medicinal Chemistry. 14: 5196-203. PMID 16650767 DOI: 10.1016/J.Bmc.2006.04.004 |
0.369 |
|
| 2006 |
Natalini B, Sardella R, Macchiarulo A, Pellicciari R. Dynamic ligand-exchange chiral stationary phase from S-benzyl-(R)-cysteine. Chirality. 18: 509-18. PMID 16634129 DOI: 10.1002/Chir.20280 |
0.69 |
|
| 2006 |
Macchiarulo A, Rizzo G, Costantino G, Fiorucci S, Pellicciari R. Unveiling hidden features of orphan nuclear receptors: the case of the small heterodimer partner (SHP). Journal of Molecular Graphics & Modelling. 24: 362-72. PMID 16288980 DOI: 10.1016/J.Jmgm.2005.09.016 |
0.738 |
|
| 2005 |
Schiaffella F, Macchiarulo A, Milanese L, Vecchiarelli A, Costantino G, Pietrella D, Fringuelli R. Design, synthesis, and microbiological evaluation of new Candida albicans CYP51 inhibitors. Journal of Medicinal Chemistry. 48: 7658-66. PMID 16302806 DOI: 10.1021/Jm050685J |
0.341 |
|
| 2005 |
Meyer U, Costantino G, Macchiarulo A, Pellicciari R. Is antagonism of E/Z-guggulsterone at the farnesoid X receptor mediated by a noncanonical binding site? A molecular modeling study. Journal of Medicinal Chemistry. 48: 6948-55. PMID 16250653 DOI: 10.1021/Jm0505056 |
0.713 |
|
| 2005 |
Costantino G, Entrena-Guadix A, Macchiarulo A, Gioiello A, Pellicciari R. Molecular dynamics simulation of the ligand binding domain of farnesoid X receptor. Insights into helix-12 stability and coactivator peptide stabilization in response to agonist binding. Journal of Medicinal Chemistry. 48: 3251-9. PMID 15857131 DOI: 10.1021/Jm049182O |
0.776 |
|
| 2005 |
Bellocchi D, Macchiarulo A, Costantino G, Pellicciari R. Docking studies on PARP-1 inhibitors: insights into the role of a binding pocket water molecule. Bioorganic & Medicinal Chemistry. 13: 1151-7. PMID 15670923 DOI: 10.1016/J.Bmc.2004.11.024 |
0.706 |
|
| 2004 |
Pleban K, Macchiarulo A, Costantino G, Pellicciari R, Chiba P, Ecker GF. Homology model of the multidrug transporter LmrA from Lactococcus lactis. Bioorganic & Medicinal Chemistry Letters. 14: 5823-6. PMID 15501048 DOI: 10.1016/J.Bmcl.2004.09.040 |
0.675 |
|
| 2004 |
Macchiarulo A, Costantino G, Meniconi M, Pleban K, Ecker G, Bellocchi D, Pellicciari R. Insights into phenylalanine derivatives recognition of VLA-4 integrin: from a pharmacophoric study to 3D-QSAR and molecular docking analyses. Journal of Chemical Information and Computer Sciences. 44: 1829-39. PMID 15446843 DOI: 10.1021/Ci049914L |
0.739 |
|
| 2004 |
Macchiarulo A, Nobeli I, Thornton JM. Ligand selectivity and competition between enzymes in silico. Nature Biotechnology. 22: 1039-45. PMID 15286657 DOI: 10.1038/Nbt999 |
0.756 |
|
| 2004 |
Natalini B, Marinozzi M, Sardella R, Macchiarulo A, Pellicciari R. Evaluation of the enantiomeric selectivity in the chiral ligand-exchange chromatography of amino acids by a computational model. Journal of Chromatography. A. 1033: 363-7. PMID 15088759 DOI: 10.1016/J.Chroma.2004.01.054 |
0.689 |
|
| 2004 |
Macchiarulo A, De Luca L, Costantino G, Barreca ML, Gitto R, Pellicciari R, Chimirri A. QSAR study of anticonvulsant negative allosteric modulators of the AMPA receptor. Journal of Medicinal Chemistry. 47: 1860-3. PMID 15027880 DOI: 10.1021/Jm0310838 |
0.72 |
|
| 2003 |
Pellicciari R, Amori L, Costantino G, Giordani A, Macchiarulo A, Mattoli L, Pevarello P, Speciale C, Varasi M. Modulation of the kynurine pathway of tryptophan metabolism in search for neuroprotective agents. Focus on kynurenine-3-hydroxylase. Advances in Experimental Medicine and Biology. 527: 621-8. PMID 15206781 DOI: 10.1007/978-1-4615-0135-0_71 |
0.711 |
|
| 2003 |
Traversa U, Bombi G, Camaioni E, Macchiarulo A, Costantino G, Palmieri C, Caciagli F, Pellicciari R. Rat brain guanosine binding site. Biological studies and pseudo-receptor construction. Bioorganic & Medicinal Chemistry. 11: 5417-25. PMID 14642586 DOI: 10.1016/J.Bmc.2003.09.043 |
0.719 |
|
| 2003 |
Pellicciari R, Camaioni E, Costantino G, Marinozzi M, Macchiarulo A, Moroni F, Natalini B. Towards new neuroprotective agents: design and synthesis of 4H-thieno[2,3-c] isoquinolin-5-one derivatives as potent PARP-1 inhibitors. Farmaco (Societã Chimica Italiana : 1989). 58: 851-8. PMID 13679179 DOI: 10.1016/S0014-827X(03)00143-5 |
0.716 |
|
| 2003 |
Costantino G, Macchiarulo A, Entrena-Guadix A, Camaioni E, Pellicciari R. Binding mode of 6ECDCA, a potent bile acid agonist of the farnesoid X receptor (FXR). Bioorganic & Medicinal Chemistry Letters. 13: 1865-8. PMID 12749886 DOI: 10.1016/S0960-894X(03)00281-6 |
0.728 |
|
| 2003 |
De Luca L, Macchiarulo A, Costantino G, Barreca ML, Gitto R, Chimirri A, Pellicciari R. Binding modes of noncompetitive AMPA antagonists: a computational approach. Farmaco (Societã Chimica Italiana : 1989). 58: 107-13. PMID 12581776 DOI: 10.1016/S0014-827X(02)00027-7 |
0.717 |
|
| 2003 |
Macchiarulo A, Costantino G, Sbaglia R, Aiello S, Meniconi M, Pellicciari R. The role of electrostatic interaction in the molecular recognition of selective agonists to metabotropic glutamate receptors. Proteins. 50: 609-19. PMID 12577267 DOI: 10.1002/Prot.10301 |
0.714 |
|
| 2002 |
Costantino G, Macchiarulo A, Belenikin M, Pellicciari R. Molecular dynamics simulation of the ligand binding domain of mGluR1 in response to agonist and antagonist binding. Journal of Computer-Aided Molecular Design. 16: 779-84. PMID 12825789 DOI: 10.1023/A:1023876410800 |
0.714 |
|
| 2002 |
Ayroldi E, Zollo O, Macchiarulo A, Di Marco B, Marchetti C, Riccardi C. Glucocorticoid-induced leucine zipper inhibits the Raf-extracellular signal-regulated kinase pathway by binding to Raf-1. Molecular and Cellular Biology. 22: 7929-41. PMID 12391160 DOI: 10.1128/Mcb.22.22.7929-7941.2002 |
0.315 |
|
| 2002 |
Macchiarulo A, Costantino G, Fringuelli D, Vecchiarelli A, Schiaffella F, Fringuelli R. 1,4-Benzothiazine and 1,4-benzoxazine imidazole derivatives with antifungal activity: a docking study. Bioorganic & Medicinal Chemistry. 10: 3415-23. PMID 12213454 DOI: 10.1016/S0968-0896(02)00263-8 |
0.331 |
|
| 2002 |
Pellicciari R, Marinozzi M, Camaioni E, del Carmen Nùnez M, Costantino G, Gasparini F, Giorgi G, Macchiarulo A, Subramanian N. Spiro[2.2]pentane as a dissymmetric scaffold for conformationally constrained analogues of glutamic acid: focus on racemic 1-aminospiro[2.2]pentyl-1,4-dicarboxylic acids. The Journal of Organic Chemistry. 67: 5497-507. PMID 12153247 DOI: 10.1021/Jo020138V |
0.689 |
|
| 2002 |
Macchiarulo A, Entrena Guadix A, Costantino G. Conformational analysis of carboxyphenylglycine (CPG) derivatives: insight into bioactive and bioselective conformations of group-I mGluRs antagonists. Farmaco (Societa Chimica Italiana : 1989). 56: 891-8. PMID 11765042 DOI: 10.1016/S0014-827X(01)01155-7 |
0.365 |
|
| 2002 |
Costantino G, Rovito R, Macchiarulo A, Pellicciari R. Structure of metal-carbenoid intermediates derived from the dirhodium(II)tetracarboxylate mediated decomposition of α-diazocarbonyl compounds: A DFT study Journal of Molecular Structure: Theochem. 581: 111-115. DOI: 10.1016/S0166-1280(01)00747-3 |
0.677 |
|
| 2001 |
Costantino G, Macchiarulo A, Pellicciari R. Metabotropic glutamate receptors: targets for therapy of cerebral ischaemia. Expert Opinion On Therapeutic Targets. 5: 669-683. PMID 12540277 DOI: 10.1517/14728222.5.6.669 |
0.704 |
|
| 2001 |
Pellicciari R, Costantino G, Marinozzi M, Macchiarulo A, Amori L, Josef Flor P, Gasparini F, Kuhn R, Urwyler S. Design, synthesis and preliminary evaluation of novel 3'-substituted carboxycyclopropylglycines as antagonists at group 2 metabotropic glutamate receptors. Bioorganic & Medicinal Chemistry Letters. 11: 3179-82. PMID 11720869 DOI: 10.1016/S0960-894X(01)00656-4 |
0.703 |
|
| 2001 |
Costantino G, Macchiarulo A, Camaioni E, Pellicciari R. Modeling of poly(ADP-ribose)polymerase (PARP) inhibitors. Docking of ligands and quantitative structure-activity relationship analysis. Journal of Medicinal Chemistry. 44: 3786-94. PMID 11689065 DOI: 10.1021/Jm010116L |
0.736 |
|
| 2001 |
Costantino G, Macchiarulo A, Entrena Guadix A, Pellicciari R. QSAR and molecular modeling studies of baclofen analogues as GABA(B) agonists. Insights into the role of the aromatic moiety in GABA(B) binding and activation. Journal of Medicinal Chemistry. 44: 1827-32. PMID 11356116 DOI: 10.1021/Jm0100133 |
0.7 |
|
| 2001 |
Costantino G, Macchiarulo A, Pellicciari R. Homology model of the closed, functionally active, form of the amino terminal domain of mGlur1. Bioorganic & Medicinal Chemistry. 9: 847-52. PMID 11354667 DOI: 10.1016/S0968-0896(00)00311-4 |
0.715 |
|
| 2001 |
Pellicciari R, Costantino G, Marinozzi M, Macchiarulo A, Camaioni E, Natalini B. Metabotropic glutamate receptors: structure and new subtype-selective ligands. Farmaco (Societã Chimica Italiana : 1989). 56: 91-4. PMID 11347974 DOI: 10.1016/S0014-827X(01)01006-0 |
0.732 |
|
| 2000 |
Pellicciari R, Costantino G, Macchiarulo A. Metabotropic glutamate receptors: a structural view point. Pharmaceutica Acta Helvetiae. 74: 231-7. PMID 10812963 DOI: 10.1016/S0031-6865(99)00055-2 |
0.717 |
|
| 2000 |
Pellicciari R, Costantino G, Macchiarulo A. Metabotropic glutamate receptors: a structural view point Pharmacochemistry Library. 31: 231-237. DOI: 10.1016/S0165-7208(00)80023-9 |
0.669 |
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| 1999 |
Costantino G, Macchiarulo A, Pellicciari R. Modeling of amino-terminal domains of group I metabotropic glutamate receptors: structural motifs affecting ligand selectivity. Journal of Medicinal Chemistry. 42: 5390-401. PMID 10639281 DOI: 10.1021/Jm990353C |
0.714 |
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| 1999 |
Costantino G, Macchiarulo A, Pellicciari R. Pharmacophore models of group I and group II metabotropic glutamate receptor agonists. Analysis of conformational, steric, and topological parameters affecting potency and selectivity. Journal of Medicinal Chemistry. 42: 2816-27. PMID 10425091 DOI: 10.1021/Jm990182B |
0.675 |
|
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