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.

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第一作者： Liang,Zhou

第一单位： Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, China.

作者： Liang,Zhou ^[1] ; Yang-Chun,Ma ^[1] ; Xue,Tang ^[2] ; Wei-Ya,Li ^[1] ; Ying,Ma ^[1] ; Run-Ling,Wang ^[1]

作者单位： Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, China. ^[1] Tasly Research Institute, Tasly Holding Group Co., Ltd, Tianjin, China. ^[2]

关键词 ADMET CADD LAR MD simulations PTPσ SCI Virtual screening

主题词分子动力学模拟(Molecular Dynamics Simulation);磷酸单酯水解酶类(Phosphoric Monoester Hydrolases);受体样蛋白质酪氨酸磷酸酶类, 2类(Receptor-Like Protein Tyrosine Phosphatases, Class 2)

DOI 10.1080/07391102.2019.1705913

PMID 31842717

发布时间 2021-06-18

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