Design potential selective inhibitors for human leukocyte common antigen-related (PTP-LAR) with fragment replace approach.

作者: Jing-Wei Wu , Huan Zhang , Wei-Ya Li , Xue Tang , Hong-Lian Li

DOI: 10.1080/07391102.2019.1699862

关键词: AntigenComputational biologyModelling methodsDocking (molecular)Insulin resistanceChemistry

摘要: The overexpression of PTP-LAR could cause the insulin resistance, so might be a promising target for treating diabetes. In this study, we applied computer modeling methods with fragment...

参考文章(52)
David E. Konerding, Thomas E. Cheatham III, Peter A. Kollman, Thomas L. James, Restrained molecular dynamics of solvated duplex DNA using the particle mesh Ewald method Journal of Biomolecular NMR. ,vol. 13, pp. 119- 131 ,(1999) , 10.1023/A:1008353423074
Egan Wj, Walters Wp, Murcko Ma, Guiding molecules towards drug-likeness. Current Opinion in Drug Discovery & Development. ,vol. 5, pp. 540- 549 ,(2002)
José Javier Mediavilla Bravo, Guías en el manejo de la diabetes mellitus tipo 2 Semergen - Medicina De Familia. ,vol. 40, pp. 11- 18 ,(2014) , 10.1016/S1138-3593(14)74392-8
Vijay Viswanathan, Saigopal Sathyamurthy, Global Increase in the Prevalence of Diabetes with Special Reference to the Middle East and Asia. Diabetes Technology & Therapeutics. ,vol. 17, pp. 676- 678 ,(2015) , 10.1089/DIA.2015.0197
KunLiang Guan, Jack E Dixon, None, Evidence for protein-tyrosine-phosphatase catalysis proceeding via a cysteine-phosphate intermediate. Journal of Biological Chemistry. ,vol. 266, pp. 17026- 17030 ,(1991) , 10.1016/S0021-9258(19)47335-3
Berk Hess, Carsten Kutzner, David van der Spoel, Erik Lindahl, GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation Journal of Chemical Theory and Computation. ,vol. 4, pp. 435- 447 ,(2008) , 10.1021/CT700301Q
Andrew Smellie, Scott D. Kahn, Steven L. Teig, Analysis of Conformational Coverage. 1. Validation and Estimation of Coverage Journal of Chemical Information and Computer Sciences. ,vol. 35, pp. 285- 294 ,(1995) , 10.1021/CI00024A018
Xiaoyang Xia, Edward G. Maliski, Paul Gallant, David Rogers, Classification of kinase inhibitors using a Bayesian model. Journal of Medicinal Chemistry. ,vol. 47, pp. 4463- 4470 ,(2004) , 10.1021/JM0303195
William J. Egan, Georgio Lauri, Prediction of intestinal permeability. Advanced Drug Delivery Reviews. ,vol. 54, pp. 273- 289 ,(2002) , 10.1016/S0169-409X(02)00004-2