Detalhe da pesquisa
1.
An allosteric mechanism for potent inhibition of human ATP-citrate lyase.
Nature
; 568(7753): 566-570, 2019 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-30944472
2.
A Computational Physics-based Approach to Predict Unbound Brain-to-Plasma Partition Coefficient, Kp,uu.
J Chem Inf Model
; 63(12): 3786-3798, 2023 06 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-37267072
3.
Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods.
Acc Chem Res
; 49(9): 1646-57, 2016 09 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-27529781
4.
Design, synthesis and RON receptor tyrosine kinase inhibitory activity of new head groups analogs of LCRF-0004.
Bioorg Med Chem Lett
; 25(18): 3810-5, 2015 Sep 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-26243370
5.
Design and synthesis of close analogs of LCRF-0004, a potent and selective RON receptor tyrosine kinase inhibitor.
Bioorg Med Chem Lett
; 25(12): 2527-31, 2015 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-25953155
6.
Design and synthesis of constrained analogs of LCRF-0004 as potent RON tyrosine kinase inhibitors.
Bioorg Med Chem Lett
; 25(17): 3706-10, 2015 Sep 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-26112445
7.
Discovery of bicyclic pyrazoles as class III histone deacetylase SIRT1 and SIRT2 inhibitors.
Bioorg Med Chem Lett
; 25(12): 2514-8, 2015 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-25971769
8.
Docking ligands into flexible and solvated macromolecules. 6. Development and application to the docking of HDACs and other zinc metalloenzymes inhibitors.
J Chem Inf Model
; 54(1): 254-65, 2014 Jan 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-24364808
9.
Docking ligands into flexible and solvated macromolecules. 7. Impact of protein flexibility and water molecules on docking-based virtual screening accuracy.
J Chem Inf Model
; 54(11): 3198-210, 2014 Nov 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-25280064
10.
Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J Med Chem
; 66(19): 13384-13399, 2023 Oct 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-37774359
11.
Development of a computational tool to rival experts in the prediction of sites of metabolism of xenobiotics by p450s.
J Chem Inf Model
; 52(9): 2471-83, 2012 Sep 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-22916680
12.
Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a novel platform for drug discovery.
J Chem Inf Model
; 52(1): 210-24, 2012 Jan 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-22133077
13.
From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs.
Bioorg Med Chem Lett
; 19(18): 5429-32, 2009 Sep 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-19674897
14.
1,2-Diamines as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1).
Bioorg Med Chem Lett
; 19(23): 6725-32, 2009 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-19836951
15.
N-Benzyl-1-heteroaryl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamides as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1).
Bioorg Med Chem Lett
; 19(4): 1218-23, 2009 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-19131248
16.
Synthesis and evaluation of lysine derived sulfamides as histone deacetylase inhibitors.
Bioorg Med Chem Lett
; 19(7): 1866-70, 2009 Apr 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-19272776
17.
Sulfamides as novel histone deacetylase inhibitors.
Bioorg Med Chem Lett
; 19(2): 336-40, 2009 Jan 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-19084395
18.
An Allosteric Inhibitory Site Conserved in the Ectodomain of P2X Receptor Channels.
Front Cell Neurosci
; 13: 121, 2019.
Artigo
em Inglês
| MEDLINE | ID: mdl-31024257
19.
Design, synthesis, and thrombin-inhibitory activity of pyridin-2-ones as P2/P3 core motifs.
Bioorg Med Chem Lett
; 18(6): 1972-6, 2008 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-18289852
20.
A method for induced-fit docking, scoring, and ranking of flexible ligands. Application to peptidic and pseudopeptidic beta-secretase (BACE 1) inhibitors.
J Med Chem
; 49(20): 5885-94, 2006 Oct 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-17004704