Discovery and evaluation of the hybrid of bromophenol and saccharide as potent and selective protein tyrosine phosphatase 1B inhibitors

被引：28

作者：

Zhang, Renshuai ^{[1
,2
]}

Yu, Rilei ^{[4
]}

Xu, Qi ^{[1
,2
]}

Li, Xiangqian ^{[1
,2
]}

Luo, Jiao ^{[1
,2
]}

Jiang, Bo ^{[1
,2
]}

Wang, Lijun ^{[1
,2
]}

Guo, Shuju ^{[1
,2
]}

Wu, Ning ^{[1
,2
]}

Shi, Dayong ^{[1
,2
,3
]}

机构：

[1] Chinese Acad Sci, Key Lab Expt Marine Biol, Inst Oceanol, Qingdao, Peoples R China

[2] Qingdao Natl Lab Marine Sci & Technol, Lab Marine Drugs & Bioprod, Qingdao, Peoples R China

[3] Univ Chinese Acad Sci, Beijing, Peoples R China

[4] Ocean Univ China, Key Lab Marine Drugs, Minist Educ China, Sch Med & Pharm, Qingdao 266003, Peoples R China

来源：

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | 2017年 / 134卷

基金：

中国国家自然科学基金;

关键词：

PTP1B; Bromophenol; Saccharide; Selectivity; Permeability; ALGA RHODOMELA-CONFERVOIDES; ANTIDIABETIC PROPERTIES; C57BL/KSJ-DB/DB MICE; INSULIN SENSITIVITY; PTP1B INHIBITORS; DERIVATIVES; FRAGMENT; CELLS; IDENTIFICATION; DOCKING;

D O I：

10.1016/j.ejmech.2017.04.004

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Protein tyrosine phosphatase 1B (PTP1B) is a key negative regulator of insulin signaling pathway. Inhibition of PTP1B is expected to improve insulin action. Appropriate selectivity and permeability are the gold standard for excellent PTP1B inhibitors. In this work, molecular hybridization-based screening identified a selective competitive PTP1B inhibitor. Compound 10a has IC50 values of 199 nM against PTP1B, and shows 32-fold selectivity for PTP1B over the closely related phosphatase TCPTP). Molecule docking and molecular dynamics studies reveal the reason of selectivity for PTP1B over TCPTP. Moreover, the cell permeability and cellular activity of compound 10a are demonstrated respectively. (C) 2017 Elsevier Masson SAS. All rights reserved.

引用

页码：24 / 33

页数：10

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