Literature DB >> 16934455

Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors.

Shunqi Yan1, Todd Appleby, Gary Larson, Jim Z Wu, Robert Hamatake, Zhi Hong, Nanhua Yao.   

Abstract

A structure-based approach was performed to design a novel thiazolone scaffold as HCV NS5B inhibitors. A focused library was designed and docked by GOLD. One of the top-scored molecules was synthesized and shown to have similar potency to the initial hit. The X-ray complex structure was determined and validated our design rationale.

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Year:  2006        PMID: 16934455     DOI: 10.1016/j.bmcl.2006.08.056

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN: 0960-894X            Impact factor:   2.823


  9 in total

1.  Allosteric inhibitors of Coxsackie virus A24 RNA polymerase.

Authors:  Catherine H Schein; Diane Rowold; Kyung H Choi
Journal:  Bioorg Med Chem       Date:  2015-12-15       Impact factor: 3.641

2.  Structure-based virtual screening, synthesis and SAR of novel inhibitors of hepatitis C virus NS5B polymerase.

Authors:  Tanaji T Talele; Payal Arora; Shridhar S Kulkarni; Maulik R Patel; Satyakam Singh; Maksim Chudayeu; Neerja Kaushik-Basu
Journal:  Bioorg Med Chem       Date:  2010-05-15       Impact factor: 3.641

3.  Dynamic profile analysis to characterize dynamics-driven allosteric sites in enzymes.

Authors:  Junko Taguchi; Akio Kitao
Journal:  Biophys Physicobiol       Date:  2016-07-14

4.  Inhibition of hepatitis C virus replication by Monascus pigment derivatives that interfere with viral RNA polymerase activity and the mevalonate biosynthesis pathway.

Authors:  Ji-Min Sun; Seong-Jun Kim; Geon-Woo Kim; Jin-Kyu Rhee; Nam Doo Kim; Heeyong Jung; Jungae Jeun; Seung-Hoon Lee; Seung Hyun Han; Chul Soo Shin; Jong-Won Oh
Journal:  J Antimicrob Chemother       Date:  2011-11-09       Impact factor: 5.790

Review 5.  5-Ene-4-thiazolidinones - An efficient tool in medicinal chemistry.

Authors:  Danylo Kaminskyy; Anna Kryshchyshyn; Roman Lesyk
Journal:  Eur J Med Chem       Date:  2017-09-20       Impact factor: 6.514

6.  Molecular modeling comparison of the performance of NS5b polymerase inhibitor (PSI-7977) on prevalent HCV genotypes.

Authors:  Abdo A Elfiky; Wael M Elshemey; Wissam A Gawad; Omar S Desoky
Journal:  Protein J       Date:  2013-01       Impact factor: 2.371

7.  Discovery of new scaffolds for rational design of HCV NS5B polymerase inhibitors.

Authors:  Andriy G Golub; K R Gurukumar; Amartya Basu; Volodymyr G Bdzhola; Yaroslav Bilokin; Sergiy M Yarmoluk; Jin-Ching Lee; Tanaji T Talele; Daniel B Nichols; Neerja Kaushik-Basu
Journal:  Eur J Med Chem       Date:  2012-09-17       Impact factor: 6.514

8.  Discovery of Novel Hepatitis C Virus NS5B Polymerase Inhibitors by Combining Random Forest, Multiple e-Pharmacophore Modeling and Docking.

Authors:  Yu Wei; Jinlong Li; Jie Qing; Mingjie Huang; Ming Wu; Fenghua Gao; Dongmei Li; Zhangyong Hong; Lingbao Kong; Weiqiang Huang; Jianping Lin
Journal:  PLoS One       Date:  2016-02-04       Impact factor: 3.240

9.  Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of thiazolone derivatives as hepatitis C virus NS5B polymerase allosteric inhibitors.

Authors:  Beilei Lei; Juan Du; Shuyan Li; Huanxiang Liu; Yueying Ren; Xiaojun Yao
Journal:  J Comput Aided Mol Des       Date:  2008-08-21       Impact factor: 3.686

  9 in total

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