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Carolina Horta Andrade
Carolina Horta Andrade
Professor of Medicinal Chemistry, Faculty of Pharmacy, Universidade Federal de Goias
E-mail confirmado em ufg.br - Página inicial
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QSAR-based virtual screening: advances and applications in drug discovery
BJ Neves, RC Braga, CC Melo-Filho, EN Muratov, CH Andrade
Frontiers in pharmacology 9, 418940, 2018
3842018
Chalcone derivatives: promising starting points for drug design
MN Gomes, EN Muratov, M Pereira, JC Peixoto, LP Rosseto, PVL Cravo, ...
Molecules 22 (8), 1210, 2017
3572017
In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery
LR de Souza Neto, JT Moreira-Filho, BJ Neves, RLBR Maidana, ...
Frontiers in chemistry 8, 93, 2020
1642020
Pred‐hERG: A novel web‐accessible computational tool for predicting cardiac toxicity
RC Braga, VM Alves, MFB Silva, E Muratov, D Fourches, LM Lião, ...
Molecular informatics 34 (10), 698-701, 2015
1632015
A critical overview of computational approaches employed for COVID-19 drug discovery
EN Muratov, R Amaro, CH Andrade, N Brown, S Ekins, D Fourches, ...
Chemical Society Reviews 50 (16), 9121-9151, 2021
1532021
4D-QSAR: perspectives in drug design
CH Andrade, KFM Pasqualoto, EI Ferreira, AJ Hopfinger
Molecules 15 (5), 3281-3294, 2010
1402010
CoMPARA: collaborative modeling project for androgen receptor activity
K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ...
Environmental Health Perspectives 128 (2), 027002, 2020
1352020
Assessing the performance of 3D pharmacophore models in virtual screening: how good are they?
RC Braga, CH Andrade
Current topics in medicinal chemistry 13 (9), 1127-1138, 2013
1332013
Alarms about structural alerts
VM Alves, EN Muratov, SJ Capuzzi, R Politi, Y Low, RC Braga, ...
Green Chemistry 18 (16), 4348-4360, 2016
1302016
Tuning HERG out: antitarget QSAR models for drug development
R C Braga, V M Alves, M FB Silva, E Muratov, D Fourches, A Tropsha, ...
Current topics in medicinal chemistry 14 (11), 1399-1415, 2014
1152014
Déjà vu: stimulating open drug discovery for SARS-CoV-2
S Ekins, M Mottin, PRPS Ramos, BKP Sousa, BJ Neves, DH Foil, KM Zorn, ...
Drug discovery today 25 (5), 928-941, 2020
1102020
QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity
MN Gomes, RC Braga, EM Grzelak, BJ Neves, E Muratov, R Ma, LL Klein, ...
European journal of medicinal chemistry 137, 126-138, 2017
1102017
Natural products as leads in schistosome drug discovery
BJ Neves, CH Andrade, PVL Cravo
Molecules 20 (2), 1872-1903, 2015
952015
Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds
VM Alves, E Muratov, D Fourches, J Strickland, N Kleinstreuer, ...
Toxicology and applied pharmacology 284 (2), 262-272, 2015
852015
Pred-skin: a fast and reliable web application to assess skin sensitization effect of chemicals
RC Braga, VM Alves, EN Muratov, J Strickland, N Kleinstreuer, ...
Journal of chemical information and modeling 57 (5), 1013-1017, 2017
802017
CATMoS: collaborative acute toxicity modeling suite
K Mansouri, AL Karmaus, J Fitzpatrick, G Patlewicz, P Pradeep, D Alberga, ...
Environmental health perspectives 129 (4), 047013, 2021
792021
Discovery of new anti-schistosomal hits by integration of QSAR-based virtual screening and high content screening
BJ Neves, RF Dantas, MR Senger, CC Melo-Filho, WCG Valente, ...
Journal of medicinal chemistry 59 (15), 7075-7088, 2016
772016
3D-QSAR approaches in drug design: perspectives to generate reliable CoMFA models.
CC Melo-Filho, RC Braga, CH Andrade
Current computer-aided drug design 10 (2), 148-159, 2014
742014
Open drug discovery for the Zika virus
S Ekins, D Mietchen, M Coffee, TP Stratton, JS Freundlich, ...
F1000Research 5, 2016
722016
Virtual screening strategies in medicinal chemistry: the state of the art and current challenges
R C Braga, V M Alves, A C Silva, M N Nascimento, F C Silva, L M Liao, ...
Current topics in medicinal chemistry 14 (16), 1899-1912, 2014
692014
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