Author(s):
Gomathy Subramnian, Kalirajan Rajagopal, Farhath Sherin
Email(s):
rkalirajan@ymail.com , rkalirajan@jssuni.edu.in
DOI:
10.5958/0974-360X.2020.00482.5 
Address:
Gomathy Subramnian, Kalirajan Rajagopal*, Farhath Sherin
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
Published In:
Volume - 13,
Issue - 6,
Year - 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.
Cite this article:
Gomathy Subramnian, Kalirajan Rajagopal, Farhath Sherin. Molecular Docking Studies, In silico ADMET Screening of Some Novel Thiazolidine Substituted Oxadiazoles as Sirtuin 3 Activators Targeting Parkinson’s Disease. Research J. Pharm. and Tech 2020; 13(6): 2708-2714. doi: 10.5958/0974-360X.2020.00482.5
Cite(Electronic):
Gomathy Subramnian, Kalirajan Rajagopal, Farhath Sherin. Molecular Docking Studies, In silico ADMET Screening of Some Novel Thiazolidine Substituted Oxadiazoles as Sirtuin 3 Activators Targeting Parkinson’s Disease. Research J. Pharm. and Tech 2020; 13(6): 2708-2714. doi: 10.5958/0974-360X.2020.00482.5 Available on: https://rjptonline.org/AbstractView.aspx?PID=2020-13-6-32
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