Detalhe da pesquisa
1.
Pred-Skin: A Web Portal for Accurate Prediction of Human Skin Sensitizers.
Chem Res Toxicol
; 34(2): 258-267, 2021 02 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32673477
2.
Deep Learning-driven research for drug discovery: Tackling Malaria.
PLoS Comput Biol
; 16(2): e1007025, 2020 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-32069285
3.
SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules.
J Chem Inf Model
; 60(8): 4056-4063, 2020 08 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-32678597
4.
In Vitro, In Silico, and In Vivo Analyses of Novel Aromatic Amidines against Trypanosoma cruzi.
Antimicrob Agents Chemother
; 62(2)2018 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-29203486
5.
Molecular dynamics simulations of Zika virus NS3 helicase: Insights into RNA binding site activity.
Biochem Biophys Res Commun
; 492(4): 643-651, 2017 10 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-28341122
6.
Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals.
J Chem Inf Model
; 57(5): 1013-1017, 2017 05 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-28459556
7.
QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni.
J Chem Inf Model
; 56(7): 1357-72, 2016 07 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-27253773
8.
Discovery of new potential hits of Plasmodium falciparum enoyl-ACP reductase through ligand- and structure-based drug design approaches.
Bioorg Med Chem Lett
; 23(8): 2436-41, 2013 Apr 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-23499236
9.
Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds.
J Med Chem
; 66(18): 12828-12839, 2023 09 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37677128
10.
PreS/MD: Predictor of Sensitization Hazard for Chemical Substances Released From Medical Devices.
Toxicol Sci
; 189(2): 250-259, 2022 09 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-35916740
11.
STopTox: An in Silico Alternative to Animal Testing for Acute Systemic and Topical Toxicity.
Environ Health Perspect
; 130(2): 27012, 2022 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-35192406
12.
Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products.
Front Chem
; 9: 662688, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-33996755
13.
Structure-based prediction and biosynthesis of the major mammalian metabolite of the cardioactive prototype LASSBio-294.
Bioorg Med Chem Lett
; 20(12): 3734-6, 2010 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-20488703
14.
Déjà vu: Stimulating open drug discovery for SARS-CoV-2.
Drug Discov Today
; 25(5): 928-941, 2020 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32320852
15.
Discovery of new potent hits against intracellular Trypanosoma cruzi by QSAR-based virtual screening.
Eur J Med Chem
; 163: 649-659, 2019 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30562700
16.
Biological and Toxicological Evaluation of N-(4methyl-phenyl)-4-methylphthalimide on Bone Cancer in Mice.
Anticancer Agents Med Chem
; 19(5): 667-676, 2019.
Artigo
em Inglês
| MEDLINE | ID: mdl-30734686
17.
QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery.
Front Pharmacol
; 9: 1275, 2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-30524275
18.
The A-Z of Zika drug discovery.
Drug Discov Today
; 23(11): 1833-1847, 2018 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-29935345
19.
QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities.
Front Pharmacol
; 9: 146, 2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-29559909
20.
QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity.
Eur J Med Chem
; 137: 126-138, 2017 Sep 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-28582669