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

Authors: Satyanarayan, ND; Sakshith, Prasad R; Harishkumar, S;

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

Abstract

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.

Related Organizations
Keywords

Quinoline; Thiophene; DPPH assay; Admet 90SAR; 3VP8

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green