drug design;
hepatitis C virus;
molecular modeling;
NMR spectroscopy;
structure-activity relationships;
D O I:
10.1002/anie.200460326
中图分类号:
O6 [化学];
学科分类号:
0703 ;
摘要:
A novel strategy involving NMR, medicinal chemistry, and molecular modeling is described for determining the binding mode of ligands and the binding roles of their substituents. The first solution structure of an inhibitor bound to hepatitis C virus (HCV) polymerase (see picture) provides practical information for the rational design of potential therapeutics against HCV infections.