Literature DB >> 17049849

Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure.

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

Abstract

Structure-activity relationships (SAR) of 1 against HCV NS5B polymerase were described. SAR explorations and further structure-based design led to the identifications of 2 and 3 as novel HCV NS5B inhibitors. X-ray structure of 3 in complex with NS5B polymerase was obtained at a resolution of 2.2A, and confirmed the design.

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Year:  2006        PMID： 17049849     DOI： 10.1016/j.bmcl.2006.09.095

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


  9 in total

1.  A molecular mechanics approach to modeling protein-ligand interactions: relative binding affinities in congeneric series.

Authors:  Chaya Rapp; Chakrapani Kalyanaraman; Aviva Schiffmiller; Esther Leah Schoenbrun; Matthew P Jacobson
Journal:  J Chem Inf Model       Date:  2011-08-09       Impact factor: 4.956

2.  Combination of pharmacophore hypothesis and molecular docking to identify novel inhibitors of HCV NS5B polymerase.

Authors:  Amaravadhi Harikishore; Enlin Li; Jia Jun Lee; Nam-Joon Cho; Ho Sup Yoon
Journal:  Mol Divers       Date:  2015-04-11       Impact factor: 2.943

Review 3.  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

4.  Novel Elongator Protein 2 Inhibitors Mitigating Tumor Necrosis Factor-α Induced Osteogenic Differentiation Inhibition.

Authors:  Wen-Jiao Wu; Chang-Liang Xia; Shuan-Ji Ou; Yang Yang; Yun-Fei Ma; Yi-Long Hou; Qing-Po Yang; Jun Zhang; Jian-Wei Li; Yong Qi; Chang-Peng Xu
Journal:  Biomed Res Int       Date:  2021-11-22       Impact factor: 3.411

5.  2-Heteroarylimino-5-arylidene-4-thiazolidinones as a new class of non-nucleoside inhibitors of HCV NS5B polymerase.

Authors:  Ilkay Küçükgüzel; Gökhan Satılmış; K R Gurukumar; Amartya Basu; Esra Tatar; Daniel B Nichols; Tanaji T Talele; Neerja Kaushik-Basu
Journal:  Eur J Med Chem       Date:  2013-09-12       Impact factor: 6.514

6.  From bead to flask: Synthesis of a complex β-amido-amide for probe-development studies.

Authors:  Kevin S Martin; Cristian Soldi; Kellan N Candee; Hiromi I Wettersten; Robert H Weiss; Jared T Shaw
Journal:  Beilstein J Org Chem       Date:  2013-02-06       Impact factor: 2.883

7.  3-[(5-Chloro-2-hy-droxy-benzyl-idene)amino]-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

Authors:  Hakan Dal
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2013-06-19

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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