| Year |
Citation |
Score |
| 2023 |
Barbosa H, Espinoza GZ, Amaral M, de Castro Levatti EV, Abiuzi MB, Veríssimo GC, Fernandes PO, Maltarollo VG, Tempone AG, Honorio KM, Lago JHG. Andrographolide: A Diterpenoid from Identified as a New Hit Compound against Using Machine Learning and Experimental Approaches. Journal of Chemical Information and Modeling. PMID 38148604 DOI: 10.1021/acs.jcim.3c01410 |
0.648 |
|
| 2023 |
Veríssimo GC, Pantaleão SQ, Fernandes PO, Gertrudes JC, Kronenberger T, Honorio KM, Maltarollo VG. MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling. Journal of Computer-Aided Molecular Design. 37: 735-754. PMID 37804393 DOI: 10.1007/s10822-023-00536-y |
0.602 |
|
| 2022 |
Veríssimo GC, Serafim MSM, Kronenberger T, Ferreira RS, Honorio KM, Maltarollo VG. Designing drugs when there is low data availability: one-shot learning and other approaches to face the issues of a long-term concern. Expert Opinion On Drug Discovery. 1-19. PMID 35983695 DOI: 10.1080/17460441.2022.2114451 |
0.601 |
|
| 2021 |
Pantaleão SQ, Fernandes PO, Gonçalves JE, Maltarollo VG, Honorio KM. Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review. Chemmedchem. PMID 34655454 DOI: 10.1002/cmdc.202100542 |
0.629 |
|
| 2021 |
Araujo SC, Sousa FS, Costa-Silva TA, Tempone AG, Lago JHG, Honorio KM. Discovery of New Hits as Antitrypanosomal Agents by In Silico and In Vitro Assays Using Neolignan-Inspired Natural Products from . Molecules (Basel, Switzerland). 26. PMID 34299391 DOI: 10.3390/molecules26144116 |
0.318 |
|
| 2021 |
Serafim MSM, Dos Santos Júnior VS, Gertrudes JC, Maltarollo VG, Honorio KM. Machine learning techniques applied to the drug design and discovery of new antivirals: a brief look over the past decade. Expert Opinion On Drug Discovery. 16: 961-975. PMID 33957833 DOI: 10.1080/17460441.2021.1918098 |
0.629 |
|
| 2021 |
Serafim MSM, Gertrudes JC, Costa DMA, Oliveira PR, Maltarollo VG, Honorio KM. Knowing and combating the enemy: a brief review on SARS-CoV-2 and computational approaches applied to the discovery of drug candidates. Bioscience Reports. PMID 33624754 DOI: 10.1042/BSR20202616 |
0.61 |
|
| 2021 |
Chiari LPA, Silva APd, Oliveira AAd, Lipinski CF, Honório KM, Silva ABFd. Drug design of new sigma-1 antagonists against neuropathic pain: a QSAR study using Partial Least Squares and Artificial Neural Networks Journal of Molecular Structure. 1223: 129156. DOI: 10.1016/J.Molstruc.2020.129156 |
0.401 |
|
| 2020 |
Serafim MSM, Kronenberger T, Oliveira PR, Poso A, Honório KM, Mota BEF, Maltarollo VG. The application of machine learning techniques to innovative antibacterial discovery and development. Expert Opinion On Drug Discovery. 1-15. PMID 32552005 DOI: 10.1080/17460441.2020.1776696 |
0.646 |
|
| 2020 |
do Carmo AL, Bettanin F, Oliveira Almeida M, Pantaleão SQ, Rodrigues T, Homem-de-Mello P, Honorio KM. Competition Between Phenothiazines and BH3 Peptide for the Binding Site of the Antiapoptotic BCL-2 Protein. Frontiers in Chemistry. 8: 235. PMID 32309275 DOI: 10.3389/Fchem.2020.00235 |
0.665 |
|
| 2020 |
Araujo SC, Maltarollo VG, Almeida MO, Ferreira LLG, Andricopulo AD, Honorio KM. Structure-Based Virtual Screening, Molecular Dynamics and Binding Free Energy Calculations of Hit Candidates as ALK-5 Inhibitors. Molecules (Basel, Switzerland). 25. PMID 31936488 DOI: 10.3390/Molecules25020264 |
0.641 |
|
| 2020 |
Silva APd, Angelo RMd, Paula Hd, Honório KM, Silva ABFd. Drug design of new 5-HT6 antagonists: a QSAR study of arylsulfonamide derivatives Structural Chemistry. 31: 1-13. DOI: 10.1007/S11224-020-01513-Z |
0.423 |
|
| 2019 |
Lipinski CF, Maltarollo VG, Oliveira PR, da Silva ABF, Honorio KM. Advances and Perspectives in Applying Deep Learning for Drug Design and Discovery. Frontiers in Robotics and Ai. 6: 108. PMID 33501123 DOI: 10.3389/frobt.2019.00108 |
0.614 |
|
| 2019 |
Pantaleão SQ, Philot EA, Almeida MO, Lima AN, de Sairre MI, Scott AL, Honorio KM. Integrated Protocol to Design Potential Inhibitors of Dipeptidyl Peptidase-4 (DPP-4). Current Topics in Medicinal Chemistry. PMID 31878857 DOI: 10.2174/1568026620666191226101543 |
0.339 |
|
| 2019 |
Ferreira DD, Sousa FS, Costa-Silva TA, Reimão JQ, Torrecilhas AC, Johns DM, Sear CE, Honorio KM, Lago JHG, Anderson EA, Tempone AG. Dehydrodieugenol B derivatives as antiparasitic agents: Synthesis and biological activity against Trypanosoma cruzi. European Journal of Medicinal Chemistry. 176: 162-174. PMID 31103897 DOI: 10.1016/J.Ejmech.2019.05.001 |
0.376 |
|
| 2019 |
Maltarollo VG, Kronenberger T, Windshugel B, Wrenger C, Trossini GHG, Honorio KM. Advances and Challenges in Drug Design of PPARδ Ligands. Current Drug Targets. 19: 144-154. PMID 28413978 DOI: 10.2174/1389450118666170414113159 |
0.658 |
|
| 2019 |
Lipinski CF, Maltarollo VG, Oliveira PR, da Silva ABF, Honorio KM. Advances and Perspectives in Applying Deep Learning for Drug Design and Discovery Frontiers in Robotics and Ai. 6. DOI: 10.3389/frobt.2019.00108 |
0.59 |
|
| 2018 |
Maltarollo VG, Kronenberger T, Espinoza GZ, Oliveira PR, Honorio KM. Advances with support vector machines for novel drug discovery. Expert Opinion On Drug Discovery. 1-11. PMID 30488731 DOI: 10.1080/17460441.2019.1549033 |
0.667 |
|
| 2018 |
de Angelo RM, Almeida MO, de Paula H, Honorio KM. Studies on the Dual Activity of EGFR and HER-2 Inhibitors Using Structure-Based Drug Design Techniques. International Journal of Molecular Sciences. 19. PMID 30477154 DOI: 10.3390/Ijms19123728 |
0.418 |
|
| 2018 |
Saraiva ÁPB, Miranda RM, Valente RPP, Araújo JO, Souza RNB, Costa CHS, Oliveira ARS, Almeida MO, Figueiredo AF, Ferreira JEV, Alves CN, Honorio KM. Molecular description of α-keto-based inhibitors of cruzain with activity against Chagas disease combining 3D-QSAR studies and molecular dynamics. Chemical Biology & Drug Design. PMID 29682904 DOI: 10.1111/Cbdd.13313 |
0.384 |
|
| 2018 |
Mano ECC, Scott LPB, Honorio KM. UDP-glucuronosyltransferases: Structure, Function and Drug Design Studies. Current Medicinal Chemistry. PMID 29484974 DOI: 10.2174/0929867325666180226111311 |
0.379 |
|
| 2018 |
Pantaleão SQ, Philot EA, de Resende-Lara PT, Lima AN, Perahia D, Miteva MA, Scott AL, Honorio KM. Structural Dynamics of DPP-4 and Its Influence on the Projection of Bioactive Ligands. Molecules (Basel, Switzerland). 23. PMID 29473857 DOI: 10.3390/Molecules23020490 |
0.319 |
|
| 2018 |
Simões RS, Maltarollo VG, Oliveira PR, Honorio KM. Transfer and Multi-task Learning in QSAR Modeling: Advances and Challenges. Frontiers in Pharmacology. 9: 74. PMID 29467659 DOI: 10.3389/Fphar.2018.00074 |
0.684 |
|
| 2018 |
Valle EMA, Maltarollo VG, Almeida MO, Honorio KM, dos Santos MC, Cerchiaro G. Time dependent-density functional theory (TD-DFT) and experimental studies of UV–Visible spectra and cyclic voltammetry for Cu(II) complex with Et2DTC Journal of Molecular Structure. 1157: 463-468. DOI: 10.1016/J.Molstruc.2017.12.097 |
0.618 |
|
| 2018 |
Lipinski CF, Oliveira AA, Honorio KM, Oliveira PR, da Silva ABF. A molecular modeling study of combretastatin-like chalcones as anticancer agents using PLS, ANN and consensus models Structural Chemistry. 29: 957-965. DOI: 10.1007/S11224-017-1072-2 |
0.443 |
|
| 2017 |
Kronenberger T, Windshügel B, Wrenger C, Honorio KM, Maltarollo VG. On the relationship of anthranilic derivatives structure and the FXR (Farsenoid X receptor) agonist activity. Journal of Biomolecular Structure & Dynamics. 1-56. PMID 29237358 DOI: 10.1080/07391102.2017.1417161 |
0.68 |
|
| 2017 |
Almeida MO, Costa CHS, Gomes GC, Lameira J, Alves CN, Honorio KM. Computational analyses of interactions between ALK-5 and bioactive ligands: insights for the design of potential anticancer agents. Journal of Biomolecular Structure & Dynamics. 1-30. PMID 29132261 DOI: 10.1080/07391102.2017.1404938 |
0.376 |
|
| 2017 |
Oliveira AA, Lipinski CF, Pereira EB, Honorio KM, Oliveira PR, Weber KC, Romero RAF, de Sousa AG, da Silva ABF. New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists. Journal of Molecular Modeling. 23: 302. PMID 28971260 DOI: 10.1007/S00894-017-3444-3 |
0.396 |
|
| 2017 |
Pantaleão SQ, Fujji DGV, Maltarollo VG, da C Silva D, Trossini GHG, Weber KC, Scott LPB, Honorio KM. The role of QSAR and virtual screening studies in type 2 diabetes drug discovery. Medicinal Chemistry (Shariqah (United Arab Emirates)). PMID 28530546 DOI: 10.2174/1573406413666170522152102 |
0.609 |
|
| 2017 |
Almeida MO, Barros DAS, Araujo SC, Faria SHDM, Maltarollo VG, Honorio KM. Study on molecular structure, spectroscopic properties (FTIR and UV-Vis), NBO, QTAIM, HOMO-LUMO energies and docking studies of 5-fluorouracil, a substance used to treat cancer. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 184: 169-176. PMID 28494379 DOI: 10.1016/J.Saa.2017.04.070 |
0.653 |
|
| 2017 |
Guerra ME, Fadel V, Maltarollo VG, Baldissera G, Honorio KM, Ruggiero JR, Dos Santos Cabrera MP. MD Simulations and Multivariate Studies for Modeling the Anti-Leishmanial Activity of Peptides. Chemical Biology & Drug Design. PMID 28267894 DOI: 10.1111/Cbdd.12970 |
0.626 |
|
| 2017 |
Bettanin F, Antonio FC, Honorio KM, Homem-de-Mello P. Quantum-chemistry descriptors for photosensitizers based on macrocycles. Chemical Biology & Drug Design. 89: 207-220. PMID 28205402 DOI: 10.1111/Cbdd.12791 |
0.685 |
|
| 2017 |
Kronenberger T, Asse LR, Wrenger C, Trossini GH, Honorio KM, Maltarollo VG. Studies of Staphylococcus aureus FabI inhibitors: fragment-based approach based on holographic structure-activity relationship analyses. Future Medicinal Chemistry. 9: 135-151. PMID 28128979 DOI: 10.4155/Fmc-2016-0179 |
0.644 |
|
| 2017 |
Kronenberger T, Asse LR, Wrenger C, Goulart Trossini GH, Honorio KM, Maltarollo VG. Studies of Staphylococcus aureus FabI inhibitors: fragment-based approach based on holographic structure-activity relationship analyses. Future Medicinal Chemistry. PMID 28128024 DOI: 10.4155/fmc-2016-0179 |
0.613 |
|
| 2017 |
Maltarollo VG, Kronenberger T, Wrenger C, Honorio KM. Current trends in quantitative structure–activity relationship validation and applications on drug discovery Future Science Oa. 3: FSO214. DOI: 10.4155/Fsoa-2017-0052 |
0.632 |
|
| 2016 |
Maltarollo VG, Araujo SC, G Trossini GH, Honorio KM. Understanding PPAR-δ affinity and selectivity using hologram quantitative structure-activity modeling, molecular docking and GRID calculations. Future Medicinal Chemistry. 8: 1913-1926. PMID 27689854 DOI: 10.4155/Fmc-2016-0061 |
0.653 |
|
| 2016 |
Lima AN, Philot EA, Trossini GH, Scott LP, Maltarollo VG, Honorio KM. Use of machine learning approaches for novel drug discovery. Expert Opinion On Drug Discovery. 11: 225-39. PMID 26814169 DOI: 10.1517/17460441.2016.1146250 |
0.673 |
|
| 2016 |
Lima AN, Philot EA, Trossini GHG, Scott LPB, Maltarollo VG, Honorio KM. Use of machine learning approaches for novel drug discovery Expert Opinion On Drug Discovery. 11: 225-239. DOI: 10.1517/17460441.2016.1146250 |
0.588 |
|
| 2015 |
Trossini GH, Maltarollo VG, Garcia RD, Pinto CA, Velasco MV, Honorio KM, Baby AR. Theoretical study of tautomers and photoisomers of avobenzone by DFT methods. Journal of Molecular Modeling. 21: 319. PMID 26631072 DOI: 10.1007/S00894-015-2863-2 |
0.607 |
|
| 2015 |
Almeida MO, Trossini GH, Maltarollo VG, Silva DD, Honorio KM. In silico studies on the interaction between bioactive ligands and ALK5, a biological target related to the cancer treatment. Journal of Biomolecular Structure & Dynamics. 1-32. PMID 26524124 DOI: 10.1080/07391102.2015.1106340 |
0.644 |
|
| 2015 |
Pantaleão SQ, Maltarollo VG, Araujo SC, Gertrudes JC, Honorio KM. Molecular docking studies and 2D analyses of DPP-4 inhibitors as candidates in the treatment of diabetes. Molecular Biosystems. 11: 3188-93. PMID 26399297 DOI: 10.1039/C5Mb00493D |
0.693 |
|
| 2015 |
Kayano AM, Simões-Silva R, Medeiros PS, Maltarollo VG, Honorio KM, Oliveira E, Albericio F, da Silva SL, Aguiar AC, Krettli AU, Fernandes CF, Zuliani JP, Calderon LA, Stábeli RG, Soares AM. BbMP-1, a new metalloproteinase isolated from Bothrops brazili snake venom with in vitro antiplasmodial properties. Toxicon : Official Journal of the International Society On Toxinology. 106: 30-41. PMID 26363289 DOI: 10.1016/J.Toxicon.2015.09.005 |
0.626 |
|
| 2015 |
Maltarollo VG, Honório KM, Emery FS, Ganesan A, Trossini GH. Hologram quantitative structure-activity relationship and comparative molecular interaction field analysis of aminothiazole and thiazolesulfonamide as reversible LSD1 inhibitors. Future Medicinal Chemistry. 7: 1381-94. PMID 26230878 DOI: 10.4155/Fmc.15.68 |
0.613 |
|
| 2015 |
Garcia RD, Maltarollo VG, Honório KM, Trossini GH. Benchmark studies of UV-vis spectra simulation for cinnamates with UV filter profile. Journal of Molecular Modeling. 21: 150. PMID 25994457 DOI: 10.1007/S00894-015-2689-Y |
0.621 |
|
| 2015 |
Maltarollo VG, Togashi M, Nascimento AS, Honorio KM. Structure-based virtual screening and discovery of New PPARδ/γ dual agonist and PPARδ and γ agonists. Plos One. 10: e0118790. PMID 25767888 DOI: 10.1371/Journal.Pone.0118790 |
0.664 |
|
| 2015 |
Maltarollo VG, Gertrudes JC, Oliveira PR, Honorio KM. Applying machine learning techniques for ADME-Tox prediction: a review. Expert Opinion On Drug Metabolism & Toxicology. 11: 259-71. PMID 25440524 DOI: 10.1517/17425255.2015.980814 |
0.648 |
|
| 2015 |
Araujo SC, Maltarollo VG, Silva DC, Gertrudes JC, Honorio KM. ALK-5 inhibition: A molecular interpretation of the main physicochemical properties related to bioactive ligands Journal of the Brazilian Chemical Society. 26: 1936-1946. DOI: 10.5935/0103-5053.20150172 |
0.691 |
|
| 2015 |
Maltarollo VG, Togashi M, Nascimento AS, Honorio KM. Final nanosecond snapshots of compound 1 molecular dynamic simulations in complex with PPAR subtypes. Plos One. DOI: 10.1371/Journal.Pone.0118790.G002 |
0.626 |
|
| 2015 |
Fernandes LS, Homem-De-Mello P, De Lima EC, Honorio KM. Rational design of molecularly imprinted polymers for recognition of cannabinoids: A structure-property relationship study European Polymer Journal. 71: 364-371. DOI: 10.1016/J.Eurpolymj.2015.08.005 |
0.662 |
|
| 2014 |
da C Silva D, Maltarollo VG, de Lima EF, Weber KC, Honorio KM. Understanding electrostatic and steric requirements related to hypertensive action of AT(1) antagonists using molecular modeling techniques. Journal of Molecular Modeling. 20: 2231. PMID 24935104 DOI: 10.1007/S00894-014-2231-7 |
0.701 |
|
| 2014 |
da C Silva D, Maltarollo VG, Honorio KM. Identifying structural features related to the biological activity of a series of AT1 antagonists from fragment-based drug design. Protein and Peptide Letters. 21: 542-9. PMID 24779772 DOI: 10.2174/092986652106140425122007 |
0.685 |
|
| 2014 |
Zaqueo KD, Kayano AM, Simões-Silva R, Moreira-Dill LS, Fernandes CF, Fuly AL, Maltarollo VG, Honório KM, da Silva SL, Acosta G, Caballol MA, de Oliveira E, Albericio F, Calderon LA, Soares AM, et al. Isolation and biochemical characterization of a new thrombin-like serine protease from Bothrops pirajai snake venom. Biomed Research International. 2014: 595186. PMID 24719874 DOI: 10.1155/2014/595186 |
0.607 |
|
| 2014 |
Lozano NB, Oliveira RF, Weber KC, Honorio KM, Guido RV, Andricopulo AD, de Sousa AG, da Silva AB. Pattern recognition techniques applied to the study of leishmanial glyceraldehyde-3-phosphate dehydrogenase inhibition. International Journal of Molecular Sciences. 15: 3186-203. PMID 24566143 DOI: 10.3390/Ijms15023186 |
0.674 |
|
| 2014 |
Almeida MO, Maltarollo VG, de Toledo RA, Shim H, Santos MC, Honorio KM. Medicinal electrochemistry: integration of electrochemistry, medicinal chemistry and computational chemistry. Current Medicinal Chemistry. 21: 2266-75. PMID 24533810 DOI: 10.2174/0929867321666140217120655 |
0.657 |
|
| 2014 |
de Carvalho LL, Maltarollo VG, de Lima EF, Weber KC, Honorio KM, da Silva AB. Molecular features related to HIV integrase inhibition obtained from structure- and ligand-based approaches. Plos One. 9: e81301. PMID 24416129 DOI: 10.1371/Journal.Pone.0081301 |
0.75 |
|
| 2014 |
Santos JCD, De França JAA, Do Nascimento Aquino LE, Pereira MA, Mafud AC, Amorim Camara C, Malta VRS, Honório KM. Theoretical calculation and structural studies for a new nitrogen derivative from nor-lapachol Journal of Molecular Structure. 1060: 233-238. DOI: 10.1016/J.Molstruc.2013.12.047 |
0.354 |
|
| 2013 |
Borges RS, Batista J, Viana RB, Baetas AC, Orestes E, Andrade MA, Honório KM, da Silva AB. Understanding the molecular aspects of tetrahydrocannabinol and cannabidiol as antioxidants. Molecules (Basel, Switzerland). 18: 12663-74. PMID 24129275 DOI: 10.3390/Molecules181012663 |
0.629 |
|
| 2013 |
Araujo SC, Maltarollo VG, Honorio KM. Computational studies of TGF-βRI (ALK-5) inhibitors: analysis of the binding interactions between ligand-receptor using 2D and 3D techniques. European Journal of Pharmaceutical Sciences : Official Journal of the European Federation For Pharmaceutical Sciences. 49: 542-9. PMID 23727056 DOI: 10.1016/J.Ejps.2013.05.015 |
0.671 |
|
| 2013 |
Lozano NB, Oliveira RF, Weber KC, Honorio KM, Guido RV, Andricopulo AD, Da Silva AB. Identification of electronic and structural descriptors of adenosine analogues related to inhibition of leishmanial glyceraldehyde-3-phosphate dehydrogenase. Molecules (Basel, Switzerland). 18: 5032-50. PMID 23629757 DOI: 10.3390/Molecules18055032 |
0.677 |
|
| 2013 |
Garcia TS, Silva DC, Gertrudes JC, Maltarollo VG, Honorio KM. Molecular features related to the binding mode of PPARδ agonists from QSAR and docking analyses. Sar and Qsar in Environmental Research. 24: 157-73. PMID 23282254 DOI: 10.1080/1062936X.2012.751453 |
0.666 |
|
| 2013 |
Honório KM, Moda TL, Andricopulo AD. Pharmacokinetic properties and in silico ADME modeling in drug discovery. Medicinal Chemistry (ShāRiqah (United Arab Emirates)). 9: 163-76. PMID 23016542 DOI: 10.2174/1573406411309020002 |
0.435 |
|
| 2013 |
Silva DC, Andricopulo AD, de Lima EF, Honório KM. Identification of structural and electronic features for a series of MCH1R antagonists. Medicinal Chemistry (ShāRiqah (United Arab Emirates)). 9: 22-31. PMID 22946526 DOI: 10.2174/157340613804488305 |
0.417 |
|
| 2013 |
Maltarollo VG, Sannomiya M, Honório KM. Molecular modeling studies on molecular properties of mutagenic flavonoids Journal of Computational and Theoretical Nanoscience. 10: 1385-1390. DOI: 10.1166/Jctn.2013.2859 |
0.633 |
|
| 2013 |
Maltarollo VG, Honório KM. Molecular properties of fatty acids related to PPAR binding and metabolic diseases Medicinal Chemistry Research. 22: 3126-3133. DOI: 10.1007/S00044-012-0285-6 |
0.641 |
|
| 2012 |
Gertrudes JC, Maltarollo VG, Silva RA, Oliveira PR, Honório KM, da Silva AB. Machine learning techniques and drug design. Current Medicinal Chemistry. 19: 4289-97. PMID 22830342 DOI: 10.2174/092986712802884259 |
0.749 |
|
| 2012 |
Lozano NB, Maltarollo VG, Weber KC, Honorio KM, Guido RV, Andricopulo AD, Da Silva AB. Molecular features for antitrypanosomal activity of thiosemicarbazones revealed by OPS-PLS QSAR studies. Medicinal Chemistry (ShāRiqah (United Arab Emirates)). 8: 1045-56. PMID 22779790 DOI: 10.2174/157340612804075043 |
0.781 |
|
| 2012 |
Maltarollo VG, Honório KM. Ligand- and structure-based drug design strategies and PPARδ/α selectivity. Chemical Biology & Drug Design. 80: 533-44. PMID 22672760 DOI: 10.1111/J.1747-0285.2012.01424.X |
0.676 |
|
| 2012 |
Salum LB, Andricopulo AD, Honório KM. A fragment-based approach for ligand binding affinity and selectivity for the liver X receptor beta. Journal of Molecular Graphics & Modelling. 32: 19-31. PMID 22030023 DOI: 10.1016/J.Jmgm.2011.09.007 |
0.39 |
|
| 2012 |
Maltarollo VG, Silva DC, Honório KM. Advanced qsar studies on ppard ligands related to metabolic diseases Journal of the Brazilian Chemical Society. 23: 85-95. DOI: 10.1590/S0103-50532012000100013 |
0.649 |
|
| 2012 |
Lozano NBH, Weber KC, Honorio KM, Guido RVC, Andricopulo AD, Da Silva ABF. Theoretical models for the antitrypanosomal activity of thiosemicarbazone derivatives International Journal of Quantum Chemistry. 112: 3364-3370. DOI: 10.1002/Qua.24213 |
0.424 |
|
| 2011 |
Maltarollo VG, Homem-De-Mello P, Honorio KM. Role of physicochemical properties in the activation of peroxisome proliferator-activated receptor δ Journal of Molecular Modeling. 17: 2549-2558. PMID 21207086 DOI: 10.1007/S00894-010-0935-X |
0.795 |
|
| 2011 |
Garcia TS, Honório KM. Two-dimensional quantitative structure-activity relationship studies on bioactive ligands of Peroxisome proliferator-activated receptor δ Journal of the Brazilian Chemical Society. 22: 65-72. DOI: 10.1590/S0103-50532011000100008 |
0.444 |
|
| 2010 |
Weber KC, De Lima EF, De Mello PH, Da Silva AB, Honório KM. Insights into the molecular requirements for the anti-obesity activity of a series of CB1 ligands. Chemical Biology & Drug Design. 76: 320-9. PMID 20887613 DOI: 10.1111/J.1747-0285.2010.01016.X |
0.666 |
|
| 2010 |
Honório KM, de Lima EF, Quiles MG, Romero RA, Molfetta FA, da Silva AB. Artificial neural networks and the study of the psychoactivity of cannabinoid compounds. Chemical Biology & Drug Design. 75: 632-40. PMID 20565477 DOI: 10.1111/J.1747-0285.2010.00966.X |
0.653 |
|
| 2010 |
Weber KC, Salum LB, Honório KM, Andricopulo AD, da Silva AB. Pharmacophore-based 3D QSAR studies on a series of high affinity 5-HT1A receptor ligands. European Journal of Medicinal Chemistry. 45: 1508-14. PMID 20133028 DOI: 10.1016/J.Ejmech.2009.12.059 |
0.652 |
|
| 2010 |
Maltarollo VG, Homem-De-mello P, Honório KM. Theoretical study on the molecular and electronic properties of some substances used for diabetes mellitus treatment Journal of Molecular Modeling. 16: 799-804. PMID 20012454 DOI: 10.1007/S00894-009-0627-6 |
0.761 |
|
| 2010 |
Arroio A, Honório KM, Silva ABFd. Propriedades químico-quânticas empregadas em estudos das relações estrutura-atividade QuíMica Nova. 33: 694-699. DOI: 10.1590/S0100-40422010000300037 |
0.379 |
|
| 2009 |
de Toledo RA, Santos MC, Suffredini HB, Homem-de-Mello P, Honorio KM, Mazo LH. DFT and electrochemical studies on nortriptyline oxidation sites Journal of Molecular Modeling. 15: 945-952. PMID 19172315 DOI: 10.1007/S00894-009-0451-Z |
0.643 |
|
| 2009 |
Arroio A, Lima EF, Honório KM, da Silva ABF. A chemometric study on the analgesic activity of cannabinoid compounds using SDA, KNN and SIMCA methods Structural Chemistry. 20: 577-585. DOI: 10.1007/S11224-009-9437-9 |
0.411 |
|
| 2008 |
Honório KM, Salum LB, Garratt RC, Polikarpov I, Andricopulo AD. Two- and three-dimensional quantitative structure-activity relationships studies on a series of liver x receptor ligands. The Open Medicinal Chemistry Journal. 2: 87-96. PMID 19696872 DOI: 10.2174/1874104500802010087 |
0.418 |
|
| 2008 |
Weber KC, Honório KM, Andricopulo AD, Da Silva AB. Two-dimensional QSAR studies on arylpiperazines as high-affinity 5-HT(1A) receptor ligands. Medicinal Chemistry (ShāRiqah (United Arab Emirates)). 4: 328-35. PMID 18673144 DOI: 10.2174/157340608784872325 |
0.632 |
|
| 2008 |
Arroio A, Honório KM, Homem-de-Mello P, Weber KC, Da Silva ABF. The teaching practice in the chemistry graduate student learning | A prática docente na formação do pós-graduando em química Quimica Nova. 31: 1888-1891. DOI: 10.1590/S0100-40422008000700050 |
0.605 |
|
| 2007 |
Emery Fda S, Silva RS, de Moura KC, Pinto MC, Amorim MB, Malta VR, Santos RH, Honório KM, da Silva AB, Pinto AV. 1,4- Addition of diazomethane to a heterodiene: a direct preparation of the oxazolic ring. Anais Da Academia Brasileira De CiêNcias. 79: 29-33. PMID 17401471 DOI: 10.1590/S0001-37652007000100004 |
0.562 |
|
| 2007 |
Honório KM, Garratt RC, Polikarpov I, Andricopulo AD. 3D QSAR comparative molecular field analysis on nonsteroidal farnesoid X receptor activators. Journal of Molecular Graphics & Modelling. 25: 921-7. PMID 17055759 DOI: 10.1016/J.Jmgm.2006.09.003 |
0.403 |
|
| 2007 |
Calgarotto AK, Miotto S, Honório KM, da Silva ABF, Marangoni S, Silva JL, Comar M, Oliveira KMT, da Silva SL. A multivariate study on flavonoid compounds scavenging the peroxynitrite free radical Journal of Molecular Structure: Theochem. 808: 25-33. DOI: 10.1016/J.Theochem.2006.12.031 |
0.394 |
|
| 2006 |
Weber KC, Honório KM, Bruni AT, da Silva AB. The use of classification methods for modeling the antioxidant activity of flavonoid compounds. Journal of Molecular Modeling. 12: 915-20. PMID 16601967 DOI: 10.1007/S00894-005-0083-X |
0.651 |
|
| 2006 |
Honório KM, Arroio A, Silva ABFd. Aspectos terapêuticos de compostos da planta Cannabis sativa QuíMica Nova. 29: 318-325. DOI: 10.1590/S0100-40422006000200024 |
0.37 |
|
| 2006 |
Arroio A, Honório KM, Weber KC, Homem-de-Mello P, Gambardella MTdP, Silva ABFd. O show da Química: motivando o interesse científico QuíMica Nova. 29: 173-178. DOI: 10.1590/S0100-40422006000100031 |
0.639 |
|
| 2006 |
Weber KC, Honório KM, Bruni AT, Andricopulo AD, Da Silva ABF. A partial least squares regression study with antioxidant flavonoid compounds Structural Chemistry. 17: 307-313. DOI: 10.1007/S11224-006-9048-7 |
0.402 |
|
| 2006 |
Arroio A, Honório KM, Weber KC, Homem-De-Mello P, Do Prado Gambardella MT, Da Silva ABF. The chemistry show: Motivating the scientific interest | O show da química: Motivando o interesse científico Quimica Nova. 29: 173-178. |
0.564 |
|
| 2005 |
Honorio KM, Garratt RC, Andricopulo AD. Hologram quantitative structure-activity relationships for a series of farnesoid X receptor activators. Bioorganic & Medicinal Chemistry Letters. 15: 3119-25. PMID 15893927 DOI: 10.1016/J.Bmcl.2005.04.017 |
0.44 |
|
| 2005 |
Honório KM, da Silva AB. A study on the influence of molecular properties in the psychoactivity of cannabinoid compounds. Journal of Molecular Modeling. 11: 200-9. PMID 15868154 DOI: 10.1007/S00894-005-0243-Z |
0.666 |
|
| 2005 |
Molfetta FA, Bruni AT, Honório KM, da Silva AB. A structure-activity relationship study of quinone compounds with trypanocidal activity. European Journal of Medicinal Chemistry. 40: 329-38. PMID 15804532 DOI: 10.1016/J.Ejmech.2004.10.009 |
0.681 |
|
| 2005 |
Arroio A, Honório KM, Weber KC, Homem-de-Mello P, Silva ABFd. O ensino de química quântica e o computador na perspectiva de projetos QuíMica Nova. 28: 360-363. DOI: 10.1590/S0100-40422005000200032 |
0.621 |
|
| 2005 |
Suffredini HB, Santos MC, De Souza D, Codognoto L, Homem-De-Mello P, Honório KM, Da Silva ABF, Machado SAS, Avaca LA. Electrochemical behavior of nicotine studied by voltammetric techniques at boron-doped diamond electrodes Analytical Letters. 38: 1587-1599. DOI: 10.1081/Al-200065801 |
0.615 |
|
| 2005 |
Weber KC, Honório KM, Da Silva SL, Mercadante R, Da Silva ABF. Selection of quantum chemical descriptors by chemometric methods in the study of antioxidant activity of flavonoid compounds International Journal of Quantum Chemistry. 103: 731-737. DOI: 10.1002/Qua.20527 |
0.385 |
|
| 2005 |
Arroio A, Honório KM, Weber KC, Homem-de-Mello P, Da Silva ABF. The teaching of quantum chemistry and the computer from the perspective projects | O ensino de química quântica e o computador na perspectiva de projetos Quimica Nova. 28: 360-363. |
0.572 |
|
| 2004 |
Souza J, Molfetta FA, Honório KM, Santos RH, da Silva AB. A study on the antipicornavirus activity of flavonoid compounds (flavones) by using quantum chemical and chemometric methods. Journal of Chemical Information and Computer Sciences. 44: 1153-61. PMID 15154785 DOI: 10.1021/Ci030384N |
0.67 |
|
| 2004 |
Da Silva SL, Da Silva A, Honório KM, Marangoni S, Toyama MH, Da Silva ABF. The influence of electronic, steric and hydrophobic properties of flavonoid compounds in the inhibition of the xanthine oxidase Journal of Molecular Structure: Theochem. 684: 1-7. DOI: 10.1016/J.Theochem.2004.04.003 |
0.351 |
|
| 2004 |
Molfetta FA, Honório KM, Alves CN, Da Silva ABF. A study on the anti-HIV activity of biflavonoid compounds by using quantum chemical and chemometric methods Journal of Molecular Structure: Theochem. 674: 191-197. DOI: 10.1016/J.Theochem.2003.12.007 |
0.382 |
|
| 2004 |
Arroio A, Honório KM, Da Silva ABF. A theoretical study on the analgesic activity of cannabinoid compounds Journal of Molecular Structure: Theochem. 709: 223-229. DOI: 10.1016/J.Theochem.2003.10.079 |
0.413 |
|
| 2003 |
Souza J, Santos RH, Ferreira MM, Molfetta FA, Camargo AJ, Honório KM, da Silva AB. A quantum chemical and statistical study of flavonoid compounds (flavones) with anti-HIV activity. European Journal of Medicinal Chemistry. 38: 929-38. PMID 14642325 DOI: 10.1016/J.Ejmech.2003.06.001 |
0.64 |
|
| 2003 |
Malta VRS, Pinto AV, Molfetta FA, Honório KM, De Simone CA, Pereira MA, Santos RHA, Da Silva ABF. The influence of electronic and steric effects in the structure-activity relationship (SAR) study of quinone compounds with biological activity against Trypanosoma cruzi Journal of Molecular Structure: Theochem. 634: 271-280. DOI: 10.1016/S0166-1280(03)00379-8 |
0.422 |
|
| 2002 |
Alves CN, De Macedo LGM, Honório KM, Camargo AJ, Santos LS, Jardim IN, Barata LES, Da Silva ABF. A structure-activity relationship (SAR) study of neolignan compounds with anti-schistosomiasis activity Journal of the Brazilian Chemical Society. 13: 300-307. DOI: 10.1590/S0103-50532002000300003 |
0.435 |
|
| 2002 |
Camargo AJ, Mercadante R, Honório KM, Alves CN, Da Silva ABF. A structure-activity relationship (SAR) study of synthetic neolignans and related compounds with biological activity against Escherichia coli Journal of Molecular Structure: Theochem. 583: 105-116. DOI: 10.1016/S0166-1280(01)00802-8 |
0.404 |
|
| 2001 |
Honório KM, Freitas LG, Trsic M, Da Silva ABF. A quantum chemical study on the psychoactivity of cannabinoid compounds Journal of Molecular Structure: Theochem. 538: 99-106. DOI: 10.1016/S0166-1280(00)00652-7 |
0.638 |
|
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