Journal of Chemical and Pharmaceutical Research (ISSN : 0975-7384)

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Original Articles: 2012 Vol: 4 Issue: 1

Computational Approach for Designing and Development of Potent Inhibitor for Hepatitis - B Virus X- Associated Protein through Molecular Docking Studies

Abstract

The aim of the study is to conduct modeling of associated protein of hepatitis B virus and designing of inhibitor. We have already studied QSAR Studies of 6-aryl- 6H-pyrrolo [3, 4-d] pyridazine analogues as highaffinity ligands of the α2δ subunit of voltage-gated calcium channels[1].The modeling has two approaches which have different means. First approach is to develop a potent drug target and second approach is designing inhibitor against it. The associated protein facilitates transcription of hepatitis B virus (HBV) genes by the transcription activator. In an effort to develop anti-hepatitive drugs, a series of new lead analogs were designed on the basis of structure activity relationship properties, then minimized and docked against protein which have the template 2kwj using online tools and softwares. Docking studies of lead molecule analogs designed by substituting different chemical groups shows good binding affinity towards active site of the protein. This studies may paves a new way for better treatment for hepatitis B.