| Structure-based virtual screening: from classical to artificial intelligence EHB Maia, LC Assis, TA De Oliveira, AM Da Silva, AG Taranto Frontiers in chemistry 8, 343, 2020 | 450 | 2020 |
| Immunoinformatics Design of Multi-Epitope Peptide-Based Vaccine Against Schistosoma mansoni Using Transmembrane Proteins as a Target RCO Sanches, S Tiwari, LCG Ferreira, FM Oliveira, MD Lopes, ... Frontiers in immunology 12, 621706, 2021 | 104 | 2021 |
| Synthesis, antitumor activity and docking of 2, 3-(substituted)-1, 4-naphthoquinone derivatives containing nitrogen, oxygen and sulfur M Delarmelina, RD Daltoé, MF Cerri, KP Madeira, LBA Rangel, V Lacerda, ... Journal of the Brazilian Chemical Society 26 (9), 1804-1816, 2015 | 61 | 2015 |
| Detection of the antiviral activity of epicatechin isolated from Salacia crassifolia (Celastraceae) against Mayaro virus based on protein C homology modelling and … PG Ferreira, AC Ferraz, JE Figueiredo, CF Lima, VG Rodrigues, ... Archives of virology 163, 1567-1576, 2018 | 52 | 2018 |
| Identification of Zika virus NS2B-NS3 protease inhibitors by structure-based virtual screening and drug repurposing approaches FRS Santos, DAF Nunes, WG Lima, D Davyt, LL Santos, AG Taranto, ... Journal of Chemical Information and Modeling 60 (2), 731-737, 2019 | 46 | 2019 |
| Synthesis, in vitro antimalarial activity and in silico studies of hybrid kauranoid 1, 2, 3-triazoles derived from naturally occurring diterpenes JO Santos, GR Pereira, GC Brandão, TF Borgati, LM Arantes, RC Paula, ... Journal of the Brazilian Chemical Society 27, 551-565, 2016 | 43 | 2016 |
| Interaction between artemisinin and heme. A Density Functional Theory study of structures and interaction energies JQ Araújo, JW de Mesquita Carneiro, MT de Araujo, FHA Leite, ... Bioorganic & medicinal chemistry 16 (9), 5021-5029, 2008 | 43 | 2008 |
| 21-Benzylidene digoxin: a proapoptotic cardenolide of cancer cells that up-regulates Na, K-ATPase and epithelial tight junctions SC Rocha, MTC Pessoa, LDR Neves, SLG Alves, LM Silva, HL Santos, ... PLoS One 9 (10), e108776, 2014 | 41 | 2014 |
| J. Braz. Chem. Soc. AM Santos, GR Pereira, GC Brandão, TF Borgati, LM Arantes, C de Paula, ... | 37 | 2015 |
| Virtual screening algorithms in drug discovery: A review focused on machine and deep learning methods TA Oliveira, MP Silva, EHB Maia, AM Silva, AG Taranto Drugs and Drug Candidates 2 (2), 311-334, 2023 | 36 | 2023 |
| Methyl Chavicol and Its Synthetic Analogue as Possible Antioxidant and Antilipase Agents Based on the In Vitro and In Silico Assays BCS Santos, AS Pires, CH Yamamoto, MRC Couri, AG Taranto, MS Alves, ... Oxidative medicine and cellular longevity 2018 (1), 2189348, 2018 | 36 | 2018 |
| Antimalarial activity of 4-metoxychalcones: Docking studies as falcipain/plasmepsin inhibitors, ADMET and lipophilic efficiency analysis to identify a putative oral lead candidate ME De Oliveira, G Cenzi, RR Nunes, CR Andrighetti, ... Molecules 18 (12), 15276-15287, 2013 | 36 | 2013 |
| Larvicidal activity of essential oil of Peumus boldus Molina and its ascaridole-enriched fraction against Culex quinquefasciatus DSB de Castro, DB da Silva, JD Tibúrcio, MEG Sobral, V Ferraz, ... Experimental Parasitology 171, 84-90, 2016 | 35 | 2016 |
| Brazilian malaria molecular targets (BraMMT): selected receptors for virtual high-throughput screening experiments RR Nunes, AL Fonseca, ACS Pinto, EHB Maia, AM Silva, FP Varotti, ... Memórias do Instituto Oswaldo Cruz 114, e180465, 2019 | 34 | 2019 |
| Molecular architect: A user-friendly workflow for virtual screening EHB Maia, LR Medaglia, AM da Silva, AG Taranto ACS omega 5 (12), 6628-6640, 2020 | 33 | 2020 |
| The role of C-centered radicals on the mechanism of action of artemisinin AG Taranto, JWM Carneiro, FG de Oliveira, MT de Araujo, CR Correa Journal of Molecular Structure: THEOCHEM 580 (1-3), 207-215, 2002 | 30 | 2002 |
| Evidence for the involvement of spinal cord-inhibitory and cytokines-modulatory mechanisms in the anti-hyperalgesic effect of hecogenin acetate, a steroidal sapogenin … JSS Quintans, RSS Barreto, W de Lucca Júnior, CF Villarreal, CM Kaneto, ... Molecules 19 (6), 8303-8316, 2014 | 29 | 2014 |
| Cytotoxic and cytostatic effects of digitoxigenin monodigitoxoside (DGX) in human lung cancer cells and its link to Na, K-ATPase NFZ Schneider, L Persich, SC Rocha, ACP Ramos, VF Cortes, IT Silva, ... Biomedicine & Pharmacotherapy 97, 684-696, 2018 | 28 | 2018 |
| Octopus: a platform for the virtual high-throughput screening of a pool of compounds against a set of molecular targets EHB Maia, VA Campos, B dos Reis Santos, MS Costa, IG Lima, SJ Greco, ... Journal of molecular modeling 23, 1-11, 2017 | 27 | 2017 |
| Docking-based virtual screening of Brazilian natural compounds using the OOMT as the pharmacological target database AP Carregal, FV Maciel, JB Carregal, B dos Reis Santos, AM da Silva, ... Journal of molecular modeling 23, 1-9, 2017 | 25 | 2017 |
