Carolina Horta Andrade
Carolina Horta Andrade
Professor of Medicinal Chemistry, Faculty of Pharmacy, Universidade Federal de Goias
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QSAR-based virtual screening: advances and applications in drug discovery
BJ Neves, RC Braga, CC Melo-Filho, JT Moreira-Filho, EN Muratov, ...
Frontiers in pharmacology 9, 1275, 2018
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
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
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
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
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
4D-QSAR: perspectives in drug design
CH Andrade, KFM Pasqualoto, EI Ferreira, AJ Hopfinger
Molecules 15 (5), 3281-3294, 2010
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
Alarms about structural alerts
VM Alves, EN Muratov, SJ Capuzzi, R Politi, Y Low, RC Braga, ...
Green Chemistry 18 (16), 4348-4360, 2016
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
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
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
Natural products as leads in schistosome drug discovery
BJ Neves, CH Andrade, PVL Cravo
Molecules 20 (2), 1872-1903, 2015
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
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
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
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
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
Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization
VM Alves, E Muratov, D Fourches, J Strickland, N Kleinstreuer, ...
Toxicology and applied pharmacology 284 (2), 273-280, 2015
Open drug discovery for the Zika virus
S Ekins, D Mietchen, M Coffee, TP Stratton, JS Freundlich, ...
F1000Research 5, 2016
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