Karelson M.,The MolCode Ltd |
Dobchev D.A.,The MolCode Ltd |
Dobchev D.A.,Tallinn University of Technology |
Karelson G.,The MolCode Ltd |
And 8 more authors.
Current Computer-Aided Drug Design | Year: 2012
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. © 2012 Bentham Science Publishers.