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Design and Synthesis of some 1,3,4-Thiadiazol Amines: Molecular Docking, In-Silico Adme and Antioxidant Properties | Abstract

Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X

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Abstract

Design and Synthesis of some 1,3,4-Thiadiazol Amines: Molecular Docking, In-Silico Adme and Antioxidant Properties

Author(s): Satyanarayan ND, Sakshith Prasad R and Harishkumar S

Oxidative stress and associated diseases arising from the overproduction of free radicals can be counteracted by designing and creating novel antioxidative agents that can defend the human body against the damage caused by free radicals. In present study, 5-[2-(thiophen-2-yl)quinolin-4-yl]-1,3,4-thiadiazol-2-amine and its derivatives 5(a-e) were designed and synthesised using the 2-(thiophen-2-yl)quinoline-4-carboxylic acid and thiosemicarbazide. Designed targeted antioxidant compounds were docked against the protein PDB-ID: 3VB8 and evaluated the antioxidant activity using the DPPH assay. The in-silico pharmacokinetic parameter study, such as ADME of the synthesized compounds, was evaluated using AdmetSAR software. The synthesized molecules 5(a-e) shows acceptable values.


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