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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
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
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
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
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
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
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
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
J. Braz. Chem. Soc.
AC Santos, GR Pereira, GC Brandão, TF Borgati, LM Arantes, C de Paula, ...
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
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
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
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
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, 2018
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
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
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
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
Dengue outbreaks in Divinopolis, south‐eastern Brazil and the geographic and climatic distribution of Aedes albopictus and Aedes aegypti in 2011–2012
MF da Rocha Taranto, JEM Pessanha, M dos Santos, ...
Tropical Medicine & International Health 20 (1), 77-88, 2015
DFT study of the reductive decomposition of artemisinin
AG Taranto, JW de Mesquita Carneiro, MT de Araujo
Bioorganic & medicinal chemistry 14 (5), 1546-1557, 2006
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