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.

Bioinformatics Tools: Essential for the Development and Discovery of Medicines

“…The growing need to produce a greater number of medications within a limited timeframe and with little risk has led to a significant surge in interest in bioinformatics [3]. Currently, there is a distinct and emerging area called computer assisted drug design (CADD) [4].…”

Quantitative Structure–Activity Relationship Models for the Angiotensin-Converting Enzyme Inhibitory Activities of Short-Chain Peptides of Goat Milk Using Quasi-SMILES

“…Currently, computer methodologies are often used to evaluate the physicochemical and biochemical behavior of various substances [1][2][3][4][5][6][7][8][9][10]. The possibility of creating and distributing databases and software largely determines the semantic framework of modern scientific research activities.…”

Speeding up Early Drug Discovery in Antiviral Research: A Fragment-Based in Silico Approach for the Design of Virtual Anti-Hepatitis C Leads

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