The Role of QSAR and Virtual Screening Studies in Type 2 Diabetes Drug Discovery

被引：6

作者：

Pantaleao, Simone Q. ^{[1
]}

Fujii, Drielli G. V. ^{[2
]}

Maltarollo, Vinicius G. ^{[3
]}

Silva, Danielle da C. ^{[1
]}

Trossini, Gustavo H. G. ^{[2
]}

Weber, Karen C. ^{[4
]}

Scott, Luis P. B.

Honorio, Kathia M. ^{[1
,5
]}

机构：

[1] Fed Univ ABC, BR-09210170 Santo Andre, SP, Brazil

[2] Univ Sao Paulo, Fac Pharmaceut Sci, Dept Pharm, BR-05508000 Sao Paulo, SP, Brazil

[3] Univ Fed Minas Gerais, Fed Univ, Fac Pharm, Dept Pharmaceut Prod, BR-31270901 Belo Horizonte, MG, Brazil

[4] Univ Fed Paraiba, Dept Chem, BR-13083970 Joao Pessoa, Paraiba, Brazil

[5] Univ Sao Paulo, Sch Arts Sci & Humanities, BR-03828000 Sao Paulo, SP, Brazil

来源：

MEDICINAL CHEMISTRY | 2017年 / 13卷 / 08期

基金：

巴西圣保罗研究基金会;

关键词：

Biological targets; computational chemistry; diabetes; drug design; QSAR; virtual screening; ALPHA-GLUCOSIDASE INHIBITORS; INCREMENTAL CONSTRUCTION ALGORITHM; MOLECULAR DOCKING; DPP-4; INHIBITORS; DESIGN STRATEGIES; SGLT2; ACCURATE DOCKING; CHANNEL OPENERS; LIGAND DOCKING; 3D QSAR;

D O I：

10.2174/1573406413666170522152102

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Background: Due to the increasing number of diabetes cases worldwide, there is an international concern to provide even more effective treatments to control this condition. Methods: This review brings together a selection of studies that helped to broaden the comprehension of various biological targets and associated mechanisms involved in type 2 diabetes mellitus. Results: Such studies demonstrated that QSAR techniques and virtual screenings have been successfully employed in drug design projects. Conclusions: Therefore, the main goal of this review is to give the state-of-art for the development of new drugs for the treatment of type 2 diabetes mellitus and to evaluate how computational tools, such as virtual screening and 3D-QSAR, can aid the development of new drugs with reduced adverse side effects.

引用

页码：706 / 720

页数：15

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