Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2008 Apr 9;130(14):4607-9.
doi: 10.1021/ja711120r. Epub 2008 Mar 14.

Molecular modeling based approach to potent P2-P4 macrocyclic inhibitors of hepatitis C NS3/4A protease

Nigel J Liverton  1 , M Katharine Holloway, John A McCauley, Michael T Rudd, John W Butcher, Steven S Carroll, Jillian DiMuzio, Christine Fandozzi, Kevin F Gilbert, Shi-Shan Mao, Charles J McIntyre, Kevin T Nguyen, Joseph J Romano, Mark Stahlhut, Bang-Lin Wan, David B Olsen, Joseph P Vacca
Affiliations

Molecular modeling based approach to potent P2-P4 macrocyclic inhibitors of hepatitis C NS3/4A protease

Nigel J Liverton et al. J Am Chem Soc. .

Abstract

Molecular modeling of inhibitor bound full length HCV NS3/4A protease structures proved to be a valuable tool in the design of a new series of potent NS3 protease inhibitors. Optimization of initial compounds provided 25a. The in vitro activity and selectivity as well as the rat pharmacokinetic profile of 25a compare favorably with the data for other NS3/4A protease inhibitors currently in clinical development for the treatment of HCV.

PubMed Disclaimer

MeSH terms

Substances