Computer-Aided Drug Design Methodologies Toward the Design of Anti-Hepatitis C Agents

Author(s): Alejandro Speck-Planche, M. Natalia D. S. Cordeiro

Journal Name: Current Topics in Medicinal Chemistry

Volume 12 , Issue 8 , 2012

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Hepatitis C constitutes an infectious disease that causes severe damages to the liver, and is caused by hepatitis C virus. There is no vaccine against this type of disease and the number of people infected continues to grow worldwide. The anti-viral therapy which is currently used is a mixture of interferon alpha-2a with ribavirin, but approximately half of the patients do not respond to therapy. Therefore, it is necessary to search for new compounds with anti-hepatitis C activity. Computer-aided drug design methodologies have been vital in the discovery of candidates to drugs. This review is dedicated to the role of computer-aided drug design methodologies for the development of new anti-hepatitis C agents. In addition, we introduce a QSAR model based on substructural approaches in order to model the anti-hepatitis C activity in vivo.

Keywords: Anti-HCV agents, QSAR, 3D-QSAR, structure-based drug design, linear discriminant analysis, fragments

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Article Details

Year: 2012
Page: [802 - 813]
Pages: 12
DOI: 10.2174/156802612800166783

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