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

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

Journal of Enzyme Inhibition and Medicinal Chemistry ◽

10.3109/14756366.2014.1003925 ◽

2015 ◽

Vol 31 (1) ◽

pp. 38-52 ◽

Cited By ~ 19

Author(s):

Eleni Vrontaki ◽

Georgia Melagraki ◽

Thomas Mavromoustakos ◽

Antreas Afantitis

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Anthranilic Acid ◽

3D Qsar ◽

Polymerase Inhibitors ◽

Hcv Ns5b ◽

Molecular docking, 2D and 3D-QSAR studies of new indole-based derivatives as HCV-NS5B polymerase inhibitors

Journal of the Iranian Chemical Society ◽

10.1007/s13738-015-0654-4 ◽

2015 ◽

Vol 12 (10) ◽

pp. 1789-1799 ◽

Cited By ~ 7

Author(s):

Jahan B. Ghasemi ◽

Elmira Nazarshodeh ◽

H. Abedi

Keyword(s):

Molecular Docking ◽

3D Qsar ◽

Qsar Studies ◽

Polymerase Inhibitors ◽

Hcv Ns5b ◽

2D And 3D ◽

Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes of benzothiadiazine and 1,4-benzothiazine HCV NS5b polymerase inhibitors

10.1016/j.bmcl.2009.04.119 ◽

2009 ◽

Vol 19 (13) ◽

pp. 3637-3641 ◽

Cited By ~ 25

Author(s):

Robert T. Hendricks ◽

Jay B. Fell ◽

James F. Blake ◽

John P. Fischer ◽

John E. Robinson ◽

...

Keyword(s):

Binding Modes ◽

Polymerase Inhibitors ◽

Computational Exploration ◽

Hcv Ns5b ◽

Nucleoside Inhibitors ◽

Insight into the Structural Requirements of Benzothiadiazine Scaffold-Based Derivatives as Hepatitis C Virus NS5B Polymerase Inhibitors Using 3D-QSAR, Molecular Docking and Molecular Dynamics

Current Medicinal Chemistry ◽

10.2174/092986711796957220 ◽

2011 ◽

Vol 18 (26) ◽

pp. 4019-4028 ◽

Cited By ~ 9

Author(s):

H.-X. Zhang ◽

Y. Li ◽

X. Wang ◽

Z.-T. Xiao ◽

Y.-H. Wang

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Hepatitis C Virus ◽

Hepatitis C ◽

3D Qsar ◽

Structural Requirements ◽

Polymerase Inhibitors ◽

Ns5b Polymerase ◽

Insight Into

ChemInform Abstract: 3D QSAR and Molecular Docking Studies of Benzimidazole Derivatives as Hepatitis C Virus NS5B Polymerase Inhibitors.

ChemInform ◽

10.1002/chin.200818210 ◽

2008 ◽

Vol 39 (18) ◽

Author(s):

Pallav D. Patel ◽

Maulik R. Patel ◽

Neerja Kaushik-Basu ◽

Tanaji T. Talele

Keyword(s):

Molecular Docking ◽

Hepatitis C Virus ◽

Hepatitis C ◽

3D Qsar ◽

Docking Studies ◽

Benzimidazole Derivatives ◽

Molecular Docking Studies ◽

Polymerase Inhibitors ◽

Discovery of N-Arylalkyl-3-hydroxy-4-oxo-3,4-dihydroquinazolin-2-carboxamide Derivatives as HCV NS5B Polymerase Inhibitors

ChemMedChem ◽

10.1002/cmdc.201200058 ◽

2012 ◽

Vol 7 (5) ◽

pp. 850-860 ◽

Cited By ~ 4

Author(s):

Ravindra Ramesh Deore ◽

Grace Shiahuy Chen ◽

Pei-Teh Chang ◽

Ting-Rong Chern ◽

Shin-Yu Lai ◽

...

Keyword(s):

Polymerase Inhibitors ◽

Hcv Ns5b ◽

I. Novel HCV NS5B polymerase inhibitors: Discovery of indole 2-carboxylic acids with C3-heterocycles

10.1016/j.bmcl.2011.07.021 ◽

2011 ◽

Vol 21 (18) ◽

pp. 5336-5341 ◽

Cited By ~ 31

Author(s):

Gopinadhan N. Anilkumar ◽

Charles A. Lesburg ◽

Oleg Selyutin ◽

Stuart B. Rosenblum ◽

Qingbei Zeng ◽

...

Keyword(s):

Carboxylic Acids ◽

Polymerase Inhibitors ◽

Hcv Ns5b ◽

HCV NS5B polymerase inhibitors 3: Synthesis and in vitro activity of 3-(1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl)-4-hydroxy-2H-quinolizin-2-one derivatives

10.1016/j.bmcl.2009.05.021 ◽

2009 ◽

Vol 19 (15) ◽

pp. 4484-4487 ◽

Cited By ~ 9

Author(s):

Guangyi Wang ◽

Laiguo Zhang ◽

Xiaomin Wu ◽

Debasis Das ◽

Donald Ruhrmund ◽

...

Keyword(s):

Vitro Activity ◽

In Vitro Activity ◽

Polymerase Inhibitors ◽

Hcv Ns5b ◽

HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives

10.1016/j.bmcl.2009.05.022 ◽

2009 ◽

Vol 19 (15) ◽

pp. 4480-4483 ◽

Cited By ~ 14

Author(s):

Guangyi Wang ◽

Huoxing Lei ◽

Xiaofang Wang ◽

Debasis Das ◽

Jian Hong ◽

...

Keyword(s):

Vitro Activity ◽

In Vitro Activity ◽

Pyrimidine Derivatives ◽

Polymerase Inhibitors ◽

Hcv Ns5b ◽

QSAR study of C allosteric binding site of HCV NS5B polymerase inhibitors by support vector machine

Molecular Diversity ◽

10.1007/s11030-010-9283-0 ◽

2010 ◽

Vol 15 (3) ◽

pp. 645-653 ◽

Cited By ~ 16

Author(s):

Eslam Pourbasheer ◽

Siavash Riahi ◽

Mohammad Reza Ganjali ◽

Parviz Norouzi

Keyword(s):

Support Vector Machine ◽

Binding Site ◽

Support Vector ◽

Qsar Study ◽

Polymerase Inhibitors ◽

Hcv Ns5b ◽