Detalhe da pesquisa
1.
Repurposing Navitoclax to block SARS-CoV-2 fusion and entry by targeting heptapeptide repeat sequence 1 in S2 protein.
J Med Virol
; 95(10): e29145, 2023 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-37804480
2.
AI-Driven De Novo Design and Molecular Modeling for Discovery of Small-Molecule Compounds as Potential Drug Candidates Targeting SARS-CoV-2 Main Protease.
Int J Mol Sci
; 24(9)2023 Apr 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-37175788
3.
Hydrophobic amino acids in the hinge region of the 5A apolipoprotein mimetic peptide are essential for promoting cholesterol efflux by the ABCA1 transporter.
J Pharmacol Exp Ther
; 344(1): 50-8, 2013 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-23042953
4.
In silico design and computational evaluation of novel 2-arylaminopyrimidine-based compounds as potential multi-targeted protein kinase inhibitors: application for the native and mutant (T315I) Bcr-Abl tyrosine kinase.
J Biomol Struct Dyn
; 41(9): 4065-4080, 2023 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35470777
5.
Virtual screening and identification of promising therapeutic compounds against drug-resistant Mycobacterium tuberculosis ß-ketoacyl-acyl carrier protein synthase I (KasA).
J Biomol Struct Dyn
; : 1-13, 2023 Dec 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-38088766
6.
Application of deep learning and molecular modeling to identify small drug-like compounds as potential HIV-1 entry inhibitors.
J Biomol Struct Dyn
; 40(16): 7555-7573, 2022 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-33855929
7.
Metabolomic profiling of three Araucaria species, and their possible potential role against COVID-19.
J Biomol Struct Dyn
; 40(14): 6426-6438, 2022 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-33596787
8.
Discovery of novel promising targets for anti-AIDS drug developments by computer modeling: application to the HIV-1 gp120 V3 loop.
J Chem Inf Model
; 51(10): 2760-7, 2011 Oct 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-21888425
9.
Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease.
J Biomol Struct Dyn
; 39(15): 5779-5791, 2021 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32662333
10.
In Silico Identification of Novel Aromatic Compounds as Potential HIV-1 Entry Inhibitors Mimicking Cellular Receptor CD4.
Viruses
; 11(8)2019 08 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-31412617
11.
Determining the invariant structure elements of the HIV-1 variable V3 loops: insight into the HIV-MN and HIV-Haiti isolates.
J Biomol Struct Dyn
; 26(2): 247-54, 2008 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-18597546
12.
Potential HIV-1 fusion inhibitors mimicking gp41-specific broadly neutralizing antibody 10E8: In silico discovery and prediction of antiviral potency.
J Bioinform Comput Biol
; 16(2): 1840007, 2018 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-29439644
13.
Computational identification of novel entry inhibitor scaffolds mimicking primary receptor CD4 of HIV-1 gp120.
J Mol Model
; 23(1): 18, 2017 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-28050723
14.
Computational discovery of novel HIV-1 entry inhibitors based on potent and broad neutralizing antibody VRC01.
J Mol Graph Model
; 61: 262-71, 2015 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-26298811
15.
In silico design of novel broad anti-HIV-1 agents based on glycosphingolipid ß-galactosylceramide, a high-affinity receptor for the envelope gp120 V3 loop.
J Biomol Struct Dyn
; 33(5): 1051-66, 2015.
Artigo
em Inglês
| MEDLINE | ID: mdl-24942968
16.
Dual spatial folds and different local structures of the HIV-1 immunogenic crown in various virus isolates.
J Biomol Struct Dyn
; 22(2): 159-70, 2004 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-15317477
17.
Local structural properties of the V3 loop of Thailand HIV-1 isolate.
J Biomol Struct Dyn
; 19(6): 973-89, 2002 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-12023800
18.
3D structure model of the principal neutralizing epitope of Minnesota HIV-1 isolate.
J Biomol Struct Dyn
; 21(4): 577-90, 2004 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-14692801
19.
Structure and polymorphism of the principal neutralization site of Thailand HIV-1 isolate.
J Biomol Struct Dyn
; 20(4): 603-13, 2003 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-12529159
20.
Discovery of novel anti-HIV-1 agents based on a broadly neutralizing antibody against the envelope gp120 V3 loop: a computational study.
J Biomol Struct Dyn
; 32(12): 1993-2004, 2014 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-24251545