Computer-assisted analysis of the interactions of macrocyclic inhibitors with wild type and mutant D168A hepatitis C virus NS3 serine protease

被引：14

作者：

da Cunha, EFF

Ramalho, TC

Taft, CA

de Alencastro, RB

机构：

[1] Univ Fed Rio de Janeiro, LABMMOL, Dept Quim Organ, Inst Quim,Ctr Tecnol, BR-21949900 Rio de Janeiro, Brazil

[2] Univ Fed Lavras, Dept Quim, BR-37200000 Lavras, MG, Brazil

[3] CBPF, BR-22290180 Rio De Janeiro, Brazil

来源：

LETTERS IN DRUG DESIGN & DISCOVERY | 2006年 / 3卷 / 01期

关键词：

hepatitis C virus NS3 protease; BILN; 2061; CoMFA; FlexX;

D O I：

10.2174/157018006775240953

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

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.

引用

页码：17 / 28

页数：12

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