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

[ Vol. 12 , Issue. 8 ]

Author(s):

Alejandro Speck-Planche and M. Natalia D. S. Cordeiro   Pages 802 - 813 ( 12 )

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.

Keywords:

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

Affiliation:

Department of Chemistry, Faculty of Natural Sciences, University of Oriente, Patricio Lumumba s/n, 90500 Santiago de Cuba, Cuba.



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