Modeling and Informatics in Designing Anti-Diabetic Agents

Authors: Bharatam, P. V.; Patel, D. S.; Adane, L.; Mittal, A.; Sundriyal, S.

Source: Current Pharmaceutical Design, Volume 13, Number 34, December 2007 , pp. 3518-3530(13)

Publisher: Bentham Science Publishers

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Abstract:

Diabetes mellitus is a chronic metabolic disorder, characterized by glucose overproduction and glucose underutilization. Current therapy for T2DM includes drugs, like metformin, glitazones, sulphonyl ureas, etc. Extensive research has been carried out world wide on molecular targets for T2DM like PPARγ, PTP1B, DPP-IV, GSK-3, cannabinoid receptor, fructose-bisphosphatases, β3 adrenoceptor, etc. in the development of newer anti-diabetic agents. These therapeutic targets are quite important and most of them are suitable for in silico analysis. Hence, many molecular modeling and informatics studies like, molecular docking, pharmacophore mapping, 3DQSAR, virtual screening, quantum chemical studies, and pharmacoinformatics like bioinformatics and chemoinformatics studies have been performed on the drugs / leads / targets associated with T2DM. Several of these in silico efforts are exemplary studies; the methodologies adopted in these studies can be emulated in many other therapeutic areas. A review of the rational approaches reported in designing anti-diabetic agents is presented in this article.

Keywords: Molecular modeling; informatics; Diabetes mellitus; Dipeptidyl peptidase IV; Cannabinoid; β3-adrenoceptor; Glycogen synthase kinase-3; Protein tyrosine phosphatase-1B; Pyruvate dehydogenase kinase

Document Type: Research article

DOI: http://dx.doi.org/10.2174/138161207782794239

Affiliations: 1: Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar (Mohali) - 160 062, Punjab, India.

Publication date: 2007-12-01

More about this publication?
  • Current Pharmaceutical Design publishes timely in-depth reviews covering all aspects of current research in rational drug design. Each issue is devoted to a single major therapeutic area. A Guest Editor who is an acknowledged authority in a therapeutic field has solicits for each issue comprehensive and timely reviews from leading researchers in the pharmaceutical industry and academia.

    Each thematic issue of Current Pharmaceutical Design covers all subject areas of major importance to modern drug design, including: medicinal chemistry, pharmacology, drug targets and disease mechanism.
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