Thiazolidone derivatives as inhibitors of chikungunya virus

被引：56

作者：

Jadav, Surender Singh ^{[1
]}

Sinha, Barij Nayan ^{[1
]}

Hilgenfeld, Rolf ^{[2
,3
]}

Pastorino, Boris ^{[4
]}

de Lamballerie, Xavier ^{[4
]}

Jayaprakash, Venkatesan ^{[1
]}

机构：

[1] Birla Inst Technol, Dept Pharmaceut Sci & Technol, Ranchi 835215, Jharkhand, India

[2] Univ Lubeck, Ctr Struct & Cell Biol Med, Inst Biochem, D-23538 Lubeck, Germany

[3] German Ctr Infect Res DZIF, Lubeck, Germany

[4] Aix Marseille Univ, EHESP French Sch Publ Hlth, IRD French Inst Res Dev, UMR D Emergence Pathol Virales 190, Marseille, France

来源：

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | 2015年 / 89卷

关键词：

Thiazolidinone; Antiviral; Chikungunya virus; nsp2; protease; Molecular docking; FACILE SYNTHESIS; REPLICATION; RHODANINES; PDB2PQR; DESIGN;

D O I：

10.1016/j.ejmech.2014.10.042

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

A series of arylalkylidene derivatives of 1,3-thiazolidin-4-one (1-20) were synthesized and tested for their antiviral activity against chikungunya virus (LR2006_OPY1) in Vero cell culture by CPE reduction assay. Five compounds (7-9,16 and 19) were identified to have anti-ChikV activity at lower micro molar concentration. The compounds 7, 8, 9, 16 and 19 inhibited the virus at 0.42, 4.2, 3.6, 40.1 and 6.8 mu M concentrations respectively. Molecular docking simulation has been carried out using the available X-ray crystal structure of the ChikV nsp2 protease, in order to elucidate the possible mechanism of action. Interaction of ligands with ChikV nsp2 protease (PDB Code: 3TRK) suggested the possible mechanism of protease inhibition to act as potent anti-ChikV agents. (C) 2014 Elsevier Masson SAS. All rights reserved.

引用

页码：172 / 178

页数：7

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