Modeling and Informatics in Designing Anti-Diabetic Agents

Title: Modeling and Informatics in Designing Anti-Diabetic Agents

Volume: 13 Issue: 34

Author(s): P. V. Bharatam, D. S. Patel, L. Adane, A. Mittal and S. Sundriyal

Affiliation:

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

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.

Cite this article as:

Bharatam V. P., Patel S. D., Adane L., Mittal A. and Sundriyal S., Modeling and Informatics in Designing Anti-Diabetic Agents, Current Pharmaceutical Design 2007; 13 (34) . https://dx.doi.org/10.2174/138161207782794239