Detalhe da pesquisa
1.
Structure-based discovery of a specific SHP2 inhibitor with enhanced blood-brain barrier penetration from PubChem database.
Bioorg Chem
; 121: 105648, 2022 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-35180489
2.
Design, synthesis, biological evaluation and molecular dynamics simulation studies of imidazolidine-2,4-dione derivatives as novel PTP1B inhibitors.
Biochem Biophys Res Commun
; 579: 40-46, 2021 11 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-34583194
3.
Exploring the dynamic mechanism of allosteric drug SHP099 inhibiting SHP2E69K.
Mol Divers
; 25(3): 1873-1887, 2021 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-33392964
4.
Scaffold-based selective SHP2 inhibitors design using core hopping, molecular docking, biological evaluation and molecular simulation.
Bioorg Chem
; 105: 104391, 2020 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33113413
5.
Design, synthesis and biological evaluation of pyridine derivatives as selective SHP2 inhibitors.
Bioorg Chem
; 100: 103875, 2020 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32380342
6.
Exploring the effect of inhibitor AKB-9778 on VE-PTP by molecular docking and molecular dynamics simulation.
J Cell Biochem
; 120(10): 17015-17029, 2019 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-31125141
7.
Synthesis, biological evaluation and 3D-QSAR studies of 1,2,4-triazole-5-substituted carboxylic acid bioisosteres as uric acid transporter 1 (URAT1) inhibitors for the treatment of hyperuricemia associated with gout.
Bioorg Med Chem Lett
; 29(3): 383-388, 2019 02 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30579795
8.
Structure based design of selective SHP2 inhibitors by De novo design, synthesis and biological evaluation.
J Comput Aided Mol Des
; 33(8): 759-774, 2019 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-31300938
9.
Exploring the effect of E76K mutation on SHP2 cause gain-of-function activity by a molecular dynamics study.
J Cell Biochem
; 119(12): 9941-9956, 2018 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-30129165
10.
An Approach to Optically Pure Bridging Chiral p-tert-Butylcalix[4]arenes through a Homologous Anionic Ortho-Fries Rearrangement.
J Org Chem
; 81(22): 10683-10687, 2016 11 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-27786466
11.
Design, synthesis, biological activity and molecular dynamics studies of specific protein tyrosine phosphatase 1B inhibitors over SHP-2.
Int J Mol Sci
; 14(6): 12661-74, 2013 Jun 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-23774838
12.
Exploring the mechanism of C473D mutation on CDC25B causing weak binding affinity with CDK2/CyclinA by molecular dynamics study.
J Biomol Struct Dyn
; 41(22): 12552-12564, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36655391
13.
Design, synthesis and evaluation of novel metalloproteinase inhibitors based on L-tyrosine scaffold.
Bioorg Med Chem
; 20(19): 5738-44, 2012 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-22967811
14.
Poly[[bis-(µ-4,4'-bipyridine-κ(2)N:N')copper(I)] perchlorate 0.24-hydrate].
Acta Crystallogr Sect E Struct Rep Online
; 68(Pt 5): m660-1, 2012 May 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-22590146
15.
Ethyl 4-[(4-chloro-phen-oxy)meth-yl]-2-(4-nitro-phen-yl)-1,3-thia-zole-5-carboxyl-ate.
Acta Crystallogr Sect E Struct Rep Online
; 67(Pt 12): o3433, 2011 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-22199914
16.
Methyl 3,4-bis-(cyclo-propyl-meth-oxy)benzoate.
Acta Crystallogr Sect E Struct Rep Online
; 67(Pt 5): o1130, 2011 May 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-21754441
17.
Identification of the potential dual inhibitor of protein tyrosine phosphatase sigma and leukocyte common antigen-related phosphatase by virtual screen, molecular dynamic simulations and post-analysis.
J Biomol Struct Dyn
; 39(1): 45-62, 2021 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-31842717
18.
Design, synthesis, biological evaluation and molecular dynamics of LAR inhibitors.
Comput Biol Chem
; 92: 107481, 2021 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-33838390
19.
Molecular dynamics study of CDC25BR492L mutant causing the activity decrease of CDC25B.
J Mol Graph Model
; 109: 108030, 2021 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-34509094
20.
Exploring the mechanism of the potent allosteric inhibitor compound2 on SHP2 WT and SHP2F285S by molecular dynamics study.
J Mol Graph Model
; 103: 107807, 2021 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-33338846