Detalhe da pesquisa
1.
Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease.
Molecules
; 26(4)2021 Feb 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-33557115
2.
Binding Mode Exploration of B1 Receptor Antagonists' by the Use of Molecular Dynamics and Docking Simulation-How Different Target Engagement Can Determine Different Biological Effects.
Int J Mol Sci
; 21(20)2020 Oct 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-33081372
3.
ADPredict: ADP-ribosylation site prediction based on physicochemical and structural descriptors.
Bioinformatics
; 34(15): 2566-2574, 2018 08 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29554239
4.
"DompeKeys": a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases.
J Cheminform
; 16(1): 21, 2024 Feb 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-38395961
5.
Identification and characterization of a new potent inhibitor targeting CtBP1/BARS in melanoma cells.
J Exp Clin Cancer Res
; 43(1): 137, 2024 May 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-38711119
6.
ProfhEX: AI-based platform for small molecules liability profiling.
J Cheminform
; 15(1): 60, 2023 Jun 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37296454
7.
DHFR Inhibitors Display a Pleiotropic Anti-Viral Activity against SARS-CoV-2: Insights into the Mechanisms of Action.
Viruses
; 15(5)2023 05 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37243214
8.
"Molecular Anatomy": a new multi-dimensional hierarchical scaffold analysis tool.
J Cheminform
; 13: 54, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-34301327
9.
Relevance of Spike/Estrogen Receptor-α interaction for endothelial-based coagulopathy induced by SARS-CoV-2.
Signal Transduct Target Ther
; 8(1): 203, 2023 05 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37208343
10.
ELR+ CXC chemokines and their receptors (CXC chemokine receptor 1 and CXC chemokine receptor 2) as new therapeutic targets.
Pharmacol Ther
; 112(1): 139-49, 2006 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-16720046
11.
Design of noncompetitive interleukin-8 inhibitors acting on CXCR1 and CXCR2.
J Med Chem
; 50(17): 3984-4002, 2007 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-17665889
12.
PARP1-produced poly-ADP-ribose causes the PARP12 translocation to stress granules and impairment of Golgi complex functions.
Sci Rep
; 7(1): 14035, 2017 10 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-29070863