Detalhe da pesquisa
1.
RSK1 vs. RSK2 Inhibitory Activity of the Marine ß-Carboline Alkaloid Manzamine A: A Biochemical, Cervical Cancer Protein Expression, and Computational Study.
Mar Drugs
; 19(9)2021 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34564169
2.
Identification of key residues involved in the activation and signaling properties of dopamine D3 receptor.
Pharmacol Res
; 99: 174-84, 2015 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-26116441
3.
Elucidating substrate promiscuity in the human cytochrome 3A4.
J Chem Inf Model
; 54(3): 857-69, 2014 Mar 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-24571781
4.
Equilibrium landscape of ingress/egress channels and gating residues of the Cytochrome P450 3A4.
PLoS One
; 19(3): e0298424, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-38498575
5.
Identification of novel Interleukin-2 inhibitors through computational approaches.
Mol Divers
; 17(2): 345-55, 2013 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-23494734
6.
Functional prediction of binding pockets.
J Chem Inf Model
; 52(3): 824-33, 2012 Mar 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-22352431
7.
A structure-based approach to understanding somatostatin receptor-4 agonism (sst4).
J Chem Inf Model
; 52(1): 171-86, 2012 Jan 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-22148589
8.
Development of a Simple and Effective Lipid-A Antagonist Based on Computational Prediction.
ACS Infect Dis
; 8(6): 1171-1178, 2022 06 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-35612826
9.
Synthesis and structure-activity relationships of 3,4,5-trisubstituted-1,2,4-triazoles: high affinity and selective somatostatin receptor-4 agonists for Alzheimer's disease treatment.
RSC Med Chem
; 12(8): 1352-1365, 2021 Aug 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-34458738
10.
Decoding Protein-protein Interactions: An Overview.
Curr Top Med Chem
; 20(10): 855-882, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-32101126
11.
The compromise of virtual screening and its impact on drug discovery.
Expert Opin Drug Discov
; 14(7): 619-637, 2019 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31025886
12.
Theoretical and practical considerations in virtual screening: a beaten field?
Curr Med Chem
; 15(2): 107-16, 2008.
Artigo
em Inglês
| MEDLINE | ID: mdl-18220766
13.
Toward Computational Understanding of Molecular Recognition in the Human Metabolizing Cytochrome P450s.
Curr Med Chem
; 25(28): 3353-3373, 2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-29484977
14.
Discovery of a 3,4,5-trisubstituted-1,2,4-triazole agonist with high affinity and selectivity at the somatostatin subtype-4 (sst4) receptor.
Medchemcomm
; 9(12): 2083-2090, 2018 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30746066
15.
Library size in virtual screening: is it truly a number's game?
Expert Opin Drug Discov
; 17(11): 1177-1179, 2022 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36196482
16.
Docking and Virtual Screening in Drug Discovery.
Methods Mol Biol
; 1647: 255-266, 2017.
Artigo
em Inglês
| MEDLINE | ID: mdl-28809009
17.
G Protein Coupled Receptors And Structure-Based Advances.
Curr Top Med Chem
; 16(13): 1489-505, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-26369820
18.
Evaluation of docking performance: comparative data on docking algorithms.
J Med Chem
; 47(3): 558-65, 2004 Jan 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-14736237
19.
Design and synthesis of novel N-sulfonyl-2-indole carboxamides as potent PPAR-gamma binding agents with potential application to the treatment of osteoporosis.
Bioorg Med Chem Lett
; 16(21): 5659-63, 2006 Nov 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-16919947
20.
Evaluation of library ranking efficacy in virtual screening.
J Comput Chem
; 26(1): 11-22, 2005 Jan 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-15526325