Letters in Drug Design & Discovery

G. Perry
University of Texas
San Antonio, TX
USA
Email: lddd@benthamscience.org

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Computer-Assisted Analysis of the Interactions of Macrocyclic Inhibitors with wild Type and Mutant D168A Hepatitis C Virus NS3 Serine Protease

Author(s): Elaine F.F. da Cunha, Teodorico C. Ramalho, Carlton A. Taft, Ricardo B. de Alencastro.

Abstract:

The high frequency of treatment failures suggests the need for more specific, less toxic and more active antiviral therapies for the Hepatitis C virus (HCV). HCV NS3 is currently regarded as a prime target for anti-viral drugs, thus, molecular modeling studies were used to try to understand the interaction of BILN 2061 macrocyclic analogs with the wild-type and the D168A mutant NS3 serine protease, with the aim of rendering them better therapeutic agents of the Hepatitis C virus infection.

Keywords: Hepatitis C virus NS3 protease, BILN 2061, CoMFA, FlexX

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Article Details

VOLUME: 3
ISSUE: 1
Year: 2006
Page: [17 - 28]
Pages: 12
DOI: 10.2174/157018006775240953