Abstract
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.
Keywords: Biological targets, computational chemistry, diabetes, drug design, QSAR, virtual screening.
Medicinal Chemistry
Title:The Role of QSAR and Virtual Screening Studies in Type 2 Diabetes Drug Discovery
Volume: 13 Issue: 8
Author(s): Simone Q. Pantaleao, Drielli G.V. Fujii, Vinicius G. Maltarollo, Danielle da C. Silva, Gustavo H.G. Trossini, Karen C. Weber, Luis P.B. Scott and Kathia M. Honorio*
Affiliation:
- School of Arts, Sciences and Humanities, University of Sao Paulo, 03828-000, Sao Paulo, SP,Brazil
Keywords: Biological targets, computational chemistry, diabetes, drug design, QSAR, virtual screening.
Abstract: 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.
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Pantaleao Q. Simone , Fujii G.V. Drielli , Maltarollo G. Vinicius , da C. Silva Danielle , Trossini H.G. Gustavo, Weber C. Karen, Scott P.B. Luis and Honorio M. Kathia *, The Role of QSAR and Virtual Screening Studies in Type 2 Diabetes Drug Discovery, Medicinal Chemistry 2017; 13 (8) . https://dx.doi.org/10.2174/1573406413666170522152102
DOI https://dx.doi.org/10.2174/1573406413666170522152102 |
Print ISSN 1573-4064 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6638 |
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