Detalhe da pesquisa
1.
VenomPred 2.0: A Novel In Silico Platform for an Extended and Human Interpretable Toxicological Profiling of Small Molecules.
J Chem Inf Model
; 64(7): 2275-2289, 2024 Apr 08.
Artigo
Inglês
| MEDLINE | ID: mdl-37676238
2.
A comprehensive review of synthetic strategies and SAR studies for the discovery of PfDHODH inhibitors as antimalarial agents. Part 1: triazolopyrimidine, isoxazolopyrimidine and pyrrole-based (DSM) compounds.
Bioorg Chem
; 146: 107249, 2024 May.
Artigo
Inglês
| MEDLINE | ID: mdl-38493638
3.
Watermelon: setup and validation of an in silico fragment-based approach.
J Enzyme Inhib Med Chem
; 39(1): 2356179, 2024 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-38864179
4.
Identification of Novel Non-Nucleoside Inhibitors of Zika Virus NS5 Protein Targeting MTase Activity.
Int J Mol Sci
; 25(4)2024 Feb 19.
Artigo
Inglês
| MEDLINE | ID: mdl-38397115
5.
MolBook UNIPIâCreate, Manage, Analyze, and Share Your Chemical Data for Free.
J Chem Inf Model
; 63(13): 3977-3982, 2023 07 10.
Artigo
Inglês
| MEDLINE | ID: mdl-37358197
6.
An in silico toolbox for the prediction of the potential pathogenic effects of missense mutations in the dimeric region of hRPE65.
J Enzyme Inhib Med Chem
; 38(1): 2162047, 2023 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-36629452
7.
Identification of New GSK3ß Inhibitors through a Consensus Machine Learning-Based Virtual Screening.
Int J Mol Sci
; 24(24)2023 Dec 07.
Artigo
Inglês
| MEDLINE | ID: mdl-38139062
8.
New Insights into Bitopic Orthosteric/Allosteric Ligands of Cannabinoid Receptor Type 2.
Int J Mol Sci
; 24(3)2023 Jan 21.
Artigo
Inglês
| MEDLINE | ID: mdl-36768458
9.
Predicting potentially pathogenic effects of hRPE65 missense mutations: a computational strategy based on molecular dynamics simulations.
J Enzyme Inhib Med Chem
; 37(1): 1765-1772, 2022 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-35726567
10.
New PIN1 inhibitors identified through a pharmacophore-driven, hierarchical consensus docking strategy.
J Enzyme Inhib Med Chem
; 37(1): 145-150, 2022 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-34894990
11.
VenomPred: A Machine Learning Based Platform for Molecular Toxicity Predictions.
Int J Mol Sci
; 23(4)2022 Feb 14.
Artigo
Inglês
| MEDLINE | ID: mdl-35216217
12.
Machine Learning-Based Virtual Screening for the Identification of Cdk5 Inhibitors.
Int J Mol Sci
; 23(18)2022 Sep 13.
Artigo
Inglês
| MEDLINE | ID: mdl-36142566
13.
Identification of Human Dihydroorotate Dehydrogenase Inhibitor by a Pharmacophore-Based Virtual Screening Study.
Molecules
; 27(12)2022 Jun 07.
Artigo
Inglês
| MEDLINE | ID: mdl-35744791
14.
Sirtuin 1-Activating Compounds: Discovery of a Class of Thiazole-Based Derivatives.
Molecules
; 27(19)2022 Oct 03.
Artigo
Inglês
| MEDLINE | ID: mdl-36235072
15.
Resveratrol Analogues as Dual Inhibitors of Monoamine Oxidase B and Carbonic Anhydrase VII: A New Multi-Target Combination for Neurodegenerative Diseases?
Molecules
; 27(22)2022 Nov 13.
Artigo
Inglês
| MEDLINE | ID: mdl-36431918
16.
Recent Advances in In Silico Target Fishing.
Molecules
; 26(17)2021 Aug 24.
Artigo
Inglês
| MEDLINE | ID: mdl-34500568
17.
Co-Inhibition of P-gp and Hsp90 by an Isatin-Derived Compound Contributes to the Increase of the Chemosensitivity of MCF7/ADR-Resistant Cells to Doxorubicin.
Molecules
; 27(1)2021 Dec 24.
Artigo
Inglês
| MEDLINE | ID: mdl-35011321
18.
Antibacterial and ATP Synthesis Modulating Compounds from Salvia tingitana.
J Nat Prod
; 83(4): 1027-1042, 2020 04 24.
Artigo
Inglês
| MEDLINE | ID: mdl-32182064
19.
N-aryl-N'-ureido-O-sulfamates as potent and selective inhibitors of hCA VB over hCA VA: Deciphering the binding mode of new potential agents in mitochondrial dysfunctions.
Bioorg Chem
; 100: 103896, 2020 07.
Artigo
Inglês
| MEDLINE | ID: mdl-32413627
20.
Modification on the 1,2-dihydro-2-oxo-pyridine-3-carboxamide core to obtain multi-target modulators of endocannabinoid system.
Bioorg Chem
; 94: 103353, 2020 01.
Artigo
Inglês
| MEDLINE | ID: mdl-31668465