Detalhe da pesquisa
1.
Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations.
J Chem Inf Model
; 63(10): 3171-3185, 2023 05 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37167486
2.
Antimalarial proteasome inhibitor reveals collateral sensitivity from intersubunit interactions and fitness cost of resistance.
Proc Natl Acad Sci U S A
; 115(29): E6863-E6870, 2018 07 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-29967165
3.
Development of a Highly Selective Plasmodium falciparum Proteasome Inhibitor with Anti-malaria Activity in Humanized Mice.
Angew Chem Int Ed Engl
; 60(17): 9279-9283, 2021 04 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-33433953
4.
The E2.65A mutation disrupts dynamic binding poses of SB269652 at the dopamine D2 and D3 receptors.
PLoS Comput Biol
; 14(1): e1005948, 2018 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29337986
5.
Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg Med Chem Lett
; 29(17): 2503-2510, 2019 09 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-31327531
6.
What can crystal structures of aminergic receptors tell us about designing subtype-selective ligands?
Pharmacol Rev
; 67(1): 198-213, 2015.
Artigo
em Inglês
| MEDLINE | ID: mdl-25527701
7.
Computational approaches to detect allosteric pathways in transmembrane molecular machines.
Biochim Biophys Acta
; 1858(7 Pt B): 1652-62, 2016 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-26806157
8.
A new mechanism of allostery in a G protein-coupled receptor dimer.
Nat Chem Biol
; 10(9): 745-52, 2014 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-25108820
9.
Next Generation Neuropeptide Y Receptor Small Molecule Agonists Inhibit Mosquito Biting Behavior.
bioRxiv
; 2024 Mar 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-38464241
10.
Lead Optimization of Small Molecule ENL YEATS Inhibitors to Enable In Vivo Studies: Discovery of TDI-11055.
ACS Med Chem Lett
; 15(4): 524-532, 2024 Apr 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38628784
11.
A single glycine in extracellular loop 1 is the critical determinant for pharmacological specificity of dopamine D2 and D3 receptors.
Mol Pharmacol
; 84(6): 854-64, 2013 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-24061855
12.
Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors.
ACS Bio Med Chem Au
; 3(6): 507-515, 2023 Dec 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-38144256
13.
Structure-Activity Relationship Studies of Antimalarial Plasmodium Proteasome InhibitorsâPart II.
J Med Chem
; 66(2): 1484-1508, 2023 01 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-36630286
14.
Characterization of Pyrrolidinyl-hexahydro-pyranopiperazines as a Novel Kappa Opioid Receptor Agonist Scaffold.
ACS Chem Neurosci
; 13(13): 1849-1856, 2022 07 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35738565
15.
A Chemical Strategy toward Novel Brain-Penetrant EZH2 Inhibitors.
ACS Med Chem Lett
; 13(3): 377-387, 2022 Mar 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-35300079
16.
Design, Synthesis, and Optimization of Macrocyclic Peptides as Species-Selective Antimalaria Proteasome Inhibitors.
J Med Chem
; 65(13): 9350-9375, 2022 07 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35727231
17.
Small-Molecule Inhibition of the Acyl-Lysine Reader ENL as a Strategy against Acute Myeloid Leukemia.
Cancer Discov
; 12(11): 2684-2709, 2022 11 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-36053276
18.
Deglycase-activity oriented screening to identify DJ-1 inhibitors.
RSC Med Chem
; 12(7): 1232-1238, 2021 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34355187
19.
Whole Cell Active Inhibitors of Mycobacterial Lipoamide Dehydrogenase Afford Selectivity over the Human Enzyme through Tight Binding Interactions.
ACS Infect Dis
; 7(2): 435-444, 2021 02 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33527832
20.
Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome.
J Med Chem
; 64(9): 6262-6272, 2021 05 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-33949190