Identification of Novel HCV RNA-dependent RNA polymerase Inhibitors Using Pharmacophore-Guided Virtual Screening

2008 ◽  
Vol 72 (6) ◽  
pp. 585-591 ◽  
Author(s):  
Jinyoung Kim ◽  
Ki-sun Kim ◽  
Dong-Eun Kim ◽  
Youhoon Chong
Keyword(s):  
Virtual Screening ◽  
Rna Polymerase ◽  
Hcv Rna ◽  
Rna Dependent Rna Polymerase ◽  
Polymerase Inhibitors

scholarly journals Structure based virtual screening of inhibitors for binding at the allosteric site of HCV RNA dependent RNA polymerase

2012 ◽  
Vol 8 (15) ◽  
pp. 716-719
Author(s):  
Amjesh Revikumar ◽  
Achuthsankar Sukumaran Nair ◽  
Sugunan Vetha Sundaram
Keyword(s):  
Virtual Screening ◽  
Rna Polymerase ◽  
Hcv Rna ◽  
Allosteric Site ◽  
Rna Dependent Rna Polymerase

Identification of novel inhibitors of HCV RNA-dependent RNA polymerase by pharmacophore-based virtual screening and in vitro evaluation

2009 ◽  
Vol 17 (8) ◽  
pp. 2975-2982 ◽  
Author(s):  
Kisun Ryu ◽  
Nam Doo Kim ◽  
Seong Il Choi ◽  
Cheol Kyu Han ◽  
Jeong Hyeok Yoon ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Rna Polymerase ◽  
Hcv Rna ◽  
Rna Dependent Rna Polymerase ◽  
In Vitro Evaluation

THE QSAR RESEARCH ON AURONE INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE BY APPLYING MULTI-DIMENSIONAL SCALING METHOD

2013 ◽  
Vol 06 (01) ◽  
pp. 1250062
Author(s):  
YONG-HONG HU ◽  
BAO-HUA ZHANG
Keyword(s):  
Hepatitis C Virus ◽  
Hepatitis C ◽  
Rna Polymerase ◽  
Hcv Rna ◽  
Training Set ◽  
Rna Dependent Rna Polymerase ◽  
Dimensional Scaling ◽  
Naturally Occurring ◽  
Virus Rna ◽  
Multi Dimensional Scaling

In this paper, we take naturally occurring 2-benzylidenebenzofuran-3-ones (aurones) inhibitors of hepatitis C virus (HCV) RNA-dependent RNA polymerase (RdRp) as an example to study the Multi-dimensional scaling (MDS) method for structure-activity relationship. By analyzing training set molecules, our MDS method combined with a PROXSCAL algorithm can predict inhibitory activity of most compounds correctly. Thus, a new sample's activity can be estimated and judged conveniently, and whether it should be synthesized can be known. The MDS method is applicable to optimize the structure for a compound and to provide suggestions for drug design.

Sign in / Sign up

Export Citation Format

Share Document