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Research Journal of Pharmacy and Technology
Year : 2020, Volume : 13, Issue : 6
First page : ( 2708) Last page : ( 2714)
Print ISSN : 0974-3618. Online ISSN : 0974-360X.
Article DOI : 10.5958/0974-360X.2020.00482.5

Molecular Docking Studies, In silico ADMET Screening of Some Novel Thiazolidine Substituted Oxadiazoles as Sirtuin 3 Activators Targeting Parkinson's Disease

Subramnian Gomathy, Rajagopal Kalirajan*, Sherin Farhath

Department of Pharmaceutical Chemistry, JSS College of Pharmacy, A Constituent college of JSS Academy of Higher Education and Research-(Deemed to be University)], Ooty – 643001, The Nilgiris (Tamilnadu), India

*Corresponding Author E-mail: rkalirajan@ymail.com, rkalirajan@jssuni.edu.in

Online published on 4 July, 2020.

Abstract

Oxadiazoles and thiazoles are biologically important derivatives for various pharmacological activities like neuroprotective agents, ani-cancer, antimicrobial etc. Series of some thiazolidine substituted oxadiazoles 1–19 were designed for anti-parkinson's activity. Molecular docking targeted against SIRT3 by Glide module and insilco ADMET screening by qikprop module of Schrodinger suite-2016. The binding affinity of the designed molecules towards SIRT3 was selected on the basis of GLIDE score and interaction patterns. Most of the compounds 1–19 have good Glide scores when compared with standard drug Pramipexole. Many of the thiazolidine substituted oxadiazole derivatives 1–19 have good binding affinity with Glide score in the range of 4.73 to -8.72 compared with the standard Pramipexole (−6.6). The results reveals that, thiazolidine substituted oxadiazoles as SIRT3 activator and the compounds, 15, 7, 4, 19 with good Glide score may produce significant anti-parkinson's activity for further refinement.

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Keywords

Docking studies, Oxadiazole, Thiazole, Anti-Parkinson, SIRT3.

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