期刊
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
卷 14, 期 11, 页码 22845-22856出版社
MDPI
DOI: 10.3390/ijms141122845
关键词
hepatitis C virus (HCV); NS3; NS4A serine protease; structure-based drug design (SBDD); virtual screening
资金
- National Natural Science Foundation of China [81001399]
- National High Technology Research and Development Program of China [2012AA020302]
- Key projects of the National Science and Technology Pillar Program [2013ZX09507-004]
Hepatitis C virus (HCV) NS3/NS4A serine protease is essential for viral replication, which is regarded as a promising drug target for developing direct-acting anti-HCV agents. In this study, sixteen novel compounds with cell-based HCV replicon activity ranging from 3.0 to 28.2 M (IC50) were successfully identified by means of structure-based virtual screening. Compound 5 and compound 11, with an IC50 of 3.0 M and 5.1 M, respectively, are the two most potent molecules with low cytotoxicity.
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