Autor(es): Jadav Surender Singh, Sinha Barij Nayan, Hilgenfeld Rolf, Pastorino Boris, de Lamballerie Xavier, Jayaprakash Venkatesan

Resumo: A series of arylalkylidene derivatives of 1,3-thiazolidin-4-one (1-20) were synthesized - tested for their antiviral activity against chikungunya virus (LR2006_OPY1) in Vero cell culture by CPE reduction assay. Five compounds (7-9, 16 - 19) were identified to have anti-ChikV activity at lower micro molar concentration. The compounds 7, 8, 9, 16 - 19 inhibited the virus at 0.42, 4.2, 3.6, 40.1 - 6.8 ?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 lig-s with ChikV nsp2 protease (PDB Code: 3TRK) suggested the possible mechanism of protease inhibition to act as potent anti-ChikV agents.

Palavras-Chave: Antiviral; Chikungunya virus; Molecular docking; Thiazolidinone; nsp2 protease

Imprenta: European Journal of Medicinal Chemistry, v. 89, p. 172-178, 2015

Identificador do objeto digital: 10.1016/j.ejmech.2014.10.042

Descritores: Chikungunya virus - Biochemistry ; Chikungunya virus - Cell ; Chikungunya virus - Molecular structure ; Chikungunya Virus - Virus ; Chikungunya virus - Public health

Data de publicação: 2015

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