Detalhe da pesquisa
1.
In Silico Evaluation of the Thr58-Associated Conserved Water with KRAS Switch-II Pocket Binders.
J Chem Inf Model
; 63(5): 1490-1505, 2023 03 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36854010
2.
Regulatory spine RS3 residue of protein kinases: a lipophilic bystander or a decisive element in the small-molecule kinase inhibitor binding?
Biochem Soc Trans
; 50(1): 633-648, 2022 02 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-35226061
3.
Identification and characterization of novel splice variants of human farnesoid X receptor.
Arch Biochem Biophys
; 705: 108893, 2021 07 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-33930378
4.
Discovery and Evaluation of Enantiopure 9H-pyrimido[4,5-b]indoles as Nanomolar GSK-3ß Inhibitors with Improved Metabolic Stability.
Int J Mol Sci
; 21(21)2020 Oct 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33105671
5.
Assessment of mutation probabilities of KRAS G12 missense mutants and their long-timescale dynamics by atomistic molecular simulations and Markov state modeling.
PLoS Comput Biol
; 14(9): e1006458, 2018 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-30199525
6.
Design, Synthesis and Biological Evaluation of 7-Chloro-9H-pyrimido[4,5-b]indole-based Glycogen Synthase Kinase-3ß Inhibitors.
Molecules
; 24(12)2019 Jun 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-31242571
7.
Binding Affinity via Docking: Fact and Fiction.
Molecules
; 23(8)2018 Jul 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-30061498
8.
Mutation of Cys242 of human monoacylglycerol lipase disrupts balanced hydrolysis of 1- and 2-monoacylglycerols and selectively impairs inhibitor potency.
Mol Pharmacol
; 85(3): 510-9, 2014 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-24368842
9.
Robust hydrolysis of prostaglandin glycerol esters by human monoacylglycerol lipase (MAGL).
Mol Pharmacol
; 86(5): 522-35, 2014 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-25140003
10.
PIP4K2C inhibition reverses autophagic flux impairment induced by SARS-CoV-2.
bioRxiv
; 2024 Apr 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-38659941
11.
Decisive role of water and protein dynamics in residence time of p38α MAP kinase inhibitors.
Nat Commun
; 13(1): 569, 2022 01 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-35091547
12.
Target Hopping from Protein Kinases to PXR: Identification of Small-Molecule Protein Kinase Inhibitors as Selective Modulators of Pregnane X Receptor from TüKIC Library.
Cells
; 11(8)2022 04 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-35455978
13.
Discrepancy in interactions and conformational dynamics of pregnane X receptor (PXR) bound to an agonist and a novel competitive antagonist.
Comput Struct Biotechnol J
; 20: 3004-3018, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-35782743
14.
Discovery and Development of First-in-Class ACKR3/CXCR7 Superagonists for Platelet Degranulation Modulation.
J Med Chem
; 65(19): 13365-13384, 2022 10 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36150079
15.
Addressing a Trapped High-Energy Water: Design and Synthesis of Highly Potent Pyrimidoindole-Based Glycogen Synthase Kinase-3ß Inhibitors.
J Med Chem
; 65(2): 1283-1301, 2022 01 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-34213342
16.
Design and synthesis of novel fluorescently labeled analogs of vemurafenib targeting MKK4.
Eur J Med Chem
; 209: 112901, 2021 Jan 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33092905
17.
KRAS(G12C)-AMG 510 interaction dynamics revealed by all-atom molecular dynamics simulations.
Sci Rep
; 10(1): 11992, 2020 07 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-32686745
18.
The current understanding of KRAS protein structure and dynamics.
Comput Struct Biotechnol J
; 18: 189-198, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-31988705
19.
The autoinhibited state of MKK4: Phosphorylation, putative dimerization and R134W mutant studied by molecular dynamics simulations.
Comput Struct Biotechnol J
; 18: 2687-2698, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-33101607
20.
Bioisosteric Replacement of Arylamide-Linked Spine Residues with N-Acylhydrazones and Selenophenes as a Design Strategy to Novel Dibenzosuberone Derivatives as Type I 1/2 p38α MAP Kinase Inhibitors.
J Med Chem
; 63(13): 7347-7354, 2020 07 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32462866