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11th Asia Pacific Diabetes Conference and Expo

Brisbane, Australia

Mridula Saxena

Amity University, India

Title: Chemoinformatics in understanding the SAR’s in substituted octahydropyrazinopyridoindoles class of antihistamine H

Biography

Biography: Mridula Saxena

Abstract

Drug discovery and development is highly challenging, expensive and time consuming process. for the identification of drug candidates having potential role in human therapeutics. It involves two major steps; viz the identification of the lead in terms of both target and the design of novel prototypes and the second rate limiting step for finding the candidate drug for development through optimization of the lead molecule. The chemoinformatics including ligand based and structure based approaches help in accelerating the drug discovery and design process through better understanding of the structure and activity relationships. The 2-substituted octahydropyrazinopyridoindoles have shown potent histamine H1 receptor antagonism and the ligand based 2D & 3D QSARs explained well the SARs except for some outliers. The absence of human H1 crystal structure at that time prompted us to construct a homology model of H1 using the bovine rhodopsin as template which also could not explain the outlier behavior of these compounds. The structure based studies carried out on the crystal structure of human H1 receptor have been used to explain the behavior of these outliers.