Searching for anthranilic acid-based thumb pocket 2 HCV NS5B polymerase inhibitors through a combination of molecular docking, 3D-QSAR and virtual screening

2015 ◽  
Vol 31 (1) ◽  
pp. 38-52 ◽  
Author(s):  
Eleni Vrontaki ◽  
Georgia Melagraki ◽  
Thomas Mavromoustakos ◽  
Antreas Afantitis
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
Anthranilic Acid ◽  
3D Qsar ◽  
Polymerase Inhibitors ◽  
Hcv Ns5b ◽  
Ns5b Polymerase

QSAR and Molecular Docking Directed Synthesis and Preliminary Evaluation of Novel Non-Nucleoside HCV NS5B Polymerase Inhibitors

2017 ◽  
Vol 15 (1) ◽  
pp. 52-56
Author(s):  
Vaishali M. Patil ◽  
Neeraj Masand ◽  
Gurukumar K. R ◽  
Maksim Chudayeu ◽  
Satya Prakash Gupta ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Preliminary Evaluation ◽  
Polymerase Inhibitors ◽  
Directed Synthesis ◽  
Hcv Ns5b ◽  
Ns5b Polymerase

Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay

2013 ◽  
Vol 23 (24) ◽  
pp. 6879-6885 ◽  
Author(s):  
Timothy A. Stammers ◽  
René Coulombe ◽  
Martin Duplessis ◽  
Gulrez Fazal ◽  
Alexandre Gagnon ◽  
...  
Keyword(s):  
Anthranilic Acid ◽  
Polymerase Inhibitors ◽  
Hcv Ns5b ◽  
Ns5b Polymerase

Combined 3D-QSAR, molecular docking and molecular dynamics study on the benzimidazole inhibitors targeting HCV NS5B polymerase

2019 ◽  
Vol 38 (4) ◽  
pp. 1071-1082 ◽  
Author(s):  
Zhiguo Wang ◽  
Zhenming Chen ◽  
Jianfeng Li ◽  
Jing Huang ◽  
Chenni Zheng ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
3D Qsar ◽  
Hcv Ns5b ◽  
Ns5b Polymerase

Multiple e-Pharmacophore Modeling, 3D-QSAR, and High-Throughput Virtual Screening of Hepatitis C Virus NS5B Polymerase Inhibitors

2014 ◽  
Vol 54 (2) ◽  
pp. 539-552 ◽  
Author(s):  
Patrisha Joseph Therese ◽  
Dinesh Manvar ◽  
Sridevi Kondepudi ◽  
Madhu Babu Battu ◽  
Dharmarajan Sriram ◽  
...  
Keyword(s):  
Hepatitis C Virus ◽  
Hepatitis C ◽  
Virtual Screening ◽  
High Throughput ◽  
3D Qsar ◽  
Pharmacophore Modeling ◽  
Polymerase Inhibitors ◽  
Ns5b Polymerase ◽  
High Throughput Virtual Screening
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