Detalhe da pesquisa
1.
Obesity-induced metabolic imbalance allosterically modulates CtBP2 to inhibit PPAR-alpha transcriptional activity.
J Biol Chem
; 299(7): 104890, 2023 07.
Artigo
Inglês
| MEDLINE | ID: mdl-37286039
2.
Pocket to concavity: a tool for the refinement of protein-ligand binding site shape from alpha spheres.
Bioinformatics
; 39(4)2023 04 03.
Artigo
Inglês
| MEDLINE | ID: mdl-37086438
3.
Site Identification and Next Choice Protocol for Hit-to-Lead Optimization.
J Chem Inf Model
; 2024 May 20.
Artigo
Inglês
| MEDLINE | ID: mdl-38768949
4.
AAp-MSMD: Amino Acid Preference Mapping on Protein-Protein Interaction Surfaces Using Mixed-Solvent Molecular Dynamics.
J Chem Inf Model
; 63(24): 7768-7777, 2023 Dec 25.
Artigo
Inglês
| MEDLINE | ID: mdl-38085669
5.
Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
BMC Biol
; 20(1): 43, 2022 02 17.
Artigo
Inglês
| MEDLINE | ID: mdl-35172816
6.
Inverse Mixed-Solvent Molecular Dynamics for Visualization of the Residue Interaction Profile of Molecular Probes.
Int J Mol Sci
; 23(9)2022 Apr 26.
Artigo
Inglês
| MEDLINE | ID: mdl-35563139
7.
An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J Biol Chem
; 295(20): 7154-7167, 2020 05 15.
Artigo
Inglês
| MEDLINE | ID: mdl-32241910
8.
Temperature-pressure shuffling outlier flooding method enhances the conformational sampling of proteins.
J Comput Chem
; 40(15): 1530-1537, 2019 06 05.
Artigo
Inglês
| MEDLINE | ID: mdl-30816578
9.
Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro, and X-ray Crystallography.
ACS Omega
; 8(29): 25850-25860, 2023 Jul 25.
Artigo
Inglês
| MEDLINE | ID: mdl-37521650
10.
Chemosynthetic ethanolamine plasmalogen stimulates gonadotropin secretion from bovine gonadotrophs by acting as a potential GPR61 agonist.
Anim Reprod Sci
; 241: 106992, 2022 Jun.
Artigo
Inglês
| MEDLINE | ID: mdl-35580407
11.
A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin.
Sci Rep
; 12(1): 11443, 2022 07 06.
Artigo
Inglês
| MEDLINE | ID: mdl-35794188
12.
Novel Calcium-Binding Ablating Mutations Induce Constitutive RET Activity and Drive Tumorigenesis.
Cancer Res
; 82(20): 3751-3762, 2022 10 17.
Artigo
Inglês
| MEDLINE | ID: mdl-36166639
13.
Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S-transferase Noppera-bo.
J Pestic Sci
; 46(1): 75-87, 2021 Feb 20.
Artigo
Inglês
| MEDLINE | ID: mdl-33746549
14.
The transcriptional corepressor CtBP2 serves as a metabolite sensor orchestrating hepatic glucose and lipid homeostasis.
Nat Commun
; 12(1): 6315, 2021 11 02.
Artigo
Inglês
| MEDLINE | ID: mdl-34728642
15.
Identification of key interactions between SARS-CoV-2 main protease and inhibitor drug candidates.
Sci Rep
; 10(1): 12493, 2020 07 27.
Artigo
Inglês
| MEDLINE | ID: mdl-32719454
16.
Molecular Dynamics Simulation reveals the mechanism by which the Influenza Cap-dependent Endonuclease acquires resistance against Baloxavir marboxil.
Sci Rep
; 9(1): 17464, 2019 11 25.
Artigo
Inglês
| MEDLINE | ID: mdl-31767949
17.
Parallel cascade selection molecular dynamics to screen for protein complexes generated by rigid docking.
J Mol Graph Model
; 92: 94-99, 2019 11.
Artigo
Inglês
| MEDLINE | ID: mdl-31344548
18.
A prospective compound screening contest identified broader inhibitors for Sirtuin 1.
Sci Rep
; 9(1): 19585, 2019 12 20.
Artigo
Inglês
| MEDLINE | ID: mdl-31863054
19.
Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: A molecular dynamics simulation approach.
J Mol Graph Model
; 79: 166-174, 2018 01.
Artigo
Inglês
| MEDLINE | ID: mdl-29197725
20.
Compound property enhancement by virtual compound synthesis.
J Bioinform Comput Biol
; 16(3): 1840016, 2018 06.
Artigo
Inglês
| MEDLINE | ID: mdl-29945502