Computer-Aided Drug Design for AMP-Activated Protein Kinase Activators

被引：8

作者：

Wang, Zhanli ^{[2
]}

Huo, Jianxin ^{[2
]}

Sun, Lidan ^{[1
]}

Wang, Yongfu ^{[2
]}

Jin, Hongwei ^{[1
]}

Yu, Hui ^{[3
]}

Zhang, Liangren ^{[1
]}

Zhou, Lishe ^{[2
]}

机构：

[1] Peking Univ, Sch Pharmaceut Sci, State Key Res Lab Nat & Biomimet Drugs, Beijing 100083, Peoples R China

[2] Baotou Med Coll, Affiliated Hosp 1, Cent Expt Lab, Baotou 014010, Peoples R China

[3] Tongji Univ, Affiliated Peoples Hosp 10, Dept Lab Med, Shanghai 200072, Peoples R China

来源：

CURRENT COMPUTER-AIDED DRUG DESIGN | 2011年 / 7卷 / 03期

基金：

中国国家自然科学基金;

关键词：

AMP-activated protein kinase; activator; structure-based drug design; ligand-based drug design; fragment-based drug design; structural analysis; COENZYME-A REDUCTASE; TYROSINE KINASE; GLUCOSE-UPTAKE; HEPATIC GLUCONEOGENESIS; STRUCTURAL BASIS; SKELETAL-MUSCLE; AICA RIBOSIDE; RAT-LIVER; DOCKING; METFORMIN;

D O I：

10.2174/157340911796504323

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

AMP-activated protein kinase (AMPK) is an important therapeutic target for the potential treatment of metabolic disorders, cardiovascular disease and cancer. Recently, various classes of compounds that activate AMPK by direct or indirect interactions have been reported. The importance of computer-aided drug design approaches in the search for potent activators of AMPK is now established, including structure-based design, ligand-based design, fragment-based design, as well as structural analysis. This review article highlights the computer-aided drug design approaches utilized to discover of activators targeting AMPK. The principles, advantages or limitation of the different methods are also being discussed together with examples of applications taken from the literatures.

引用

页码：214 / 227

页数：14

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