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

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ID: 112351
2020
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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.
Reference Key
subramnian, gomathy2020researchmolecular Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Subramnian, Gomathy;Rajagopal, Kalirajan;Sherin, Farhath;;
Journal research journal of pharmacy and technology
Year 2020
DOI
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http://www.indianjournals.com/redirectToAD.aspx?id=MwA4ADQA&adAddress=http%3a%2f%2fwww.indianjournals.com%2fijor.aspx%3ftarget%3dijor%3arjpt%26volume%3d13%26issue%3d6%26article%3d032
Keywords
docking studies oxadiazole thiazole anti-parkinson sirt3

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