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

被引：0

作者：

Revikumar, Amjesh ^{[1
]}

Nair, Achuthsankar Sukumaran ^{[1
]}

Sundaram, Sugunan Vetha ^{[2
]}

机构：

[1] Univ Kerala, Ctr Bioinformat, Trivandrum 695581, Kerala, India

[2] His Highness Maharajas Univ Coll, Dept Zool, Trivandrum 695034, Kerala, India

来源：

BIOINFORMATION | 2012年 / 8卷 / 15期

关键词：

D O I：

10.6026/97320630008716

中图分类号：

Q [生物科学];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Hepatitis C Virus (HCV) infection is a serious cause of chronic liver disease worldwide with more than 170 million infected individuals at a risk of developing significant morbidity and mortality. There is no effective treatment or prevention till date for HCV infection. We describe the computed binding of 10 compounds to the allosteric binding site of RNA dependent RNA polymerase enzyme. These compounds were identified from the ZINC database through virtual screening followed by ADMET evaluation.

引用

页码：716 / 719

页数：4

共 50 条

[21] MEDI 433-Structure-based virtual screening: The discovery of novel inhibitors of hepatitis C virus NS5B RNA dependent RNA polymerase
Kim, Su Yeon
Shin, Jae Hong
No, Kyoung Tai
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 234
[22] Allosteric control of RNA polymerase by a site that contacts nascent RNA hairpins
Toulokhonov, I
Artsimovitch, I
Landick, R
SCIENCE, 2001, 292 (5517) : 730 - 733
[23] Computational Study of SARS-CoV-2 RNA Dependent RNA Polymerase Allosteric Site Inhibition
Faisal, Shah
Badshah, Syed Lal
Kubra, Bibi
Sharaf, Mohamed
Emwas, Abdul-Hamid
Jaremko, Mariusz
Abdalla, Mohnad
MOLECULES, 2022, 27 (01):
[24] Pyrazolopyrimidines as inhibitors of HCV RNA polymerase.
Popovici-Müller, JV
Shipps, GW
Rosner, KE
Deng, Y
Wang, T
Curran, P
Brown, MA
Cooper, AB
Cable, M
Butkiewicz, N
Girijavallabhan, V
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U169 - U169
[25] Nucleoside analogues as inhibitors of HCV RNA polymerase
Carroll, SS
Bhat, B
Bosserman, M
Eldrup, AB
Getty, K
LaFemina, R
Hall, D
Simcoe, AL
Rutkowski, CA
Shim, S
Stahlhut, MW
Migliaccio, G
Tomassini, JE
Olsen, DB
ANTIVIRAL THERAPY, 2002, 7 (04) : L103 - L103
[26] Cyclophilin B stimulates RNA synthesis by the HCV RNA dependent RNA polymerase
Heck, Julie A.
Meng, Xiao
Frick, David N.
BIOCHEMICAL PHARMACOLOGY, 2009, 77 (07) : 1173 - 1180
[27] Resistance to HCV nucleoside analogue inhibitors of hepatitis C virus RNA-dependent RNA polymerase
Najera, Isabel
CURRENT OPINION IN VIROLOGY, 2013, 3 (05) : 508 - 513
[28] Thumb II Site Inhibitor Allosterically Suppresses the Dynamics of HCV RNA-Dependent RNA Polymerase
Deredge, Daniel J.
Johnson, Kenneth
Wintrode, Patrick
BIOPHYSICAL JOURNAL, 2015, 108 (02) : 529A - 529A
[29] N-Sulfonylanthranilic Acid Derivatives as Allosteric Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase
Yin, Zheng
Chen, Yen-Liang
Kondreddi, Ravinder Reddy
Chan, Wai Ling
Wang, Gang
Ng, Ru Hui
Lim, Joanne Y. H.
Lee, Wan Yen
Jeyaraj, Duraiswamy A.
Niyomrattanakit, Pornwaratt
Wen, Daying
Chao, Alex
Glickman, J. Fraser
Voshol, Hans
Mueller, Dieter
Spanka, Carsten
Dressler, Sigmar
Nilar, Shahul
Vasudevan, Subhash G.
Shi, Pei-Yong
Keller, Thomas H.
JOURNAL OF MEDICINAL CHEMISTRY, 2009, 52 (24) : 7934 - 7937
[30] High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors
Campagnola, Grace
Gong, Peng
Peersen, Olve B.
ANTIVIRAL RESEARCH, 2011, 91 (03) : 241 - 251

← 1 2 3 4 5 →