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

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

Volume: 12 Issue: 8

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

Affiliation:

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

Abstract: 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.

Cite this article as:

Speck-Planche Alejandro and Natalia D. S. Cordeiro M., Computer-Aided Drug Design Methodologies Toward the Design of Anti-Hepatitis C Agents, Current Topics in Medicinal Chemistry 2012; 12 (8) . https://dx.doi.org/10.2174/156802612800166783