Computer-aided drug design methodologies toward the design of anti-hepatitis C agents

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. © 2012 Bentham Science Publishers.

Año de publicación:

2012

Keywords:

• Anti-HCV agents
• 3D-QSAR
• QSAR
• Structure-based drug design
• Fragments
• linear discriminant analysis

Fuente:

scopus