Fragment-Based Development of HCV Protease Inhibitors for the Treatment of Hepatitis C

Title: Fragment-Based Development of HCV Protease Inhibitors for the Treatment of Hepatitis C

Volume: 8 Issue: 1

Author(s): Mati Karelson, Dimitar A. Dobchev, Gunnar Karelson, Tarmo Tamm, Kaido Tamm, Andrei Nikonov, Margit Mutso and Andres Merits

Affiliation:

Keywords: Fragment QSAR, multilinear regression, hepatitis C, HCV protease inhibitors, viral replication, cytotoxicity, CoMFA, CoMSIA, topological descriptors, SAR

Abstract: A novel computational technology based on fragmentation of the chemical compounds has been used for the fast and efficient prediction of activities of prospective protease inhibitors of the hepatitis C virus. This study spans over a discovery cycle from the theoretical prediction of new HCV NS3 protease inhibitors to the first cytotoxicity experimental tests of the best candidates. The measured cytotoxicity of the compounds indicated that at least two candidates would be suitable further development of drugs.

Cite this article as:

Karelson Mati, A. Dobchev Dimitar, Karelson Gunnar, Tamm Tarmo, Tamm Kaido, Nikonov Andrei, Mutso Margit and Merits Andres, Fragment-Based Development of HCV Protease Inhibitors for the Treatment of Hepatitis C, Current Computer-Aided Drug Design 2012; 8 (1) . https://dx.doi.org/10.2174/157340912799218516