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.
CAG RNAs induce DNA damage and apoptosis by silencing NUDT16 expression in polyglutamine degeneration.
Proc Natl Acad Sci U S A
; 118(19)2021 05 11.
Artigo
Inglês
| MEDLINE | ID: mdl-33947817
5.
The Benzoylpiperidine Fragment as a Privileged Structure in Medicinal Chemistry: A Comprehensive Review.
Molecules
; 29(9)2024 Apr 23.
Artigo
Inglês
| MEDLINE | ID: mdl-38731421
6.
Historical perspective of tumor glycolysis: A century with Otto Warburg.
Semin Cancer Biol
; 86(Pt 2): 325-333, 2022 11.
Artigo
Inglês
| MEDLINE | ID: mdl-35809880
7.
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
8.
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
9.
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
10.
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
11.
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
12.
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
13.
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
14.
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
15.
Sirtuin 1-Activating Compounds: Discovery of a Class of Thiazole-Based Derivatives.
Molecules
; 27(19)2022 Oct 03.
Artigo
Inglês
| MEDLINE | ID: mdl-36235072
16.
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
17.
The dichotomous role of the glycolytic metabolism pathway in cancer metastasis: Interplay with the complex tumor microenvironment and novel therapeutic strategies.
Semin Cancer Biol
; 60: 238-248, 2020 02.
Artigo
Inglês
| MEDLINE | ID: mdl-31445217
18.
Development of a fluorogenic ADAMTS-7 substrate.
J Enzyme Inhib Med Chem
; 36(1): 2160-2169, 2021 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-34587841
19.
Recent Advances in In Silico Target Fishing.
Molecules
; 26(17)2021 Aug 24.
Artigo
Inglês
| MEDLINE | ID: mdl-34500568
20.
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