Design, Synthesis Of Some Novel Oxadiazole Based Derivative And Evaluation For Their In-Vitro Anti-Oxidant Activity
Year: 2024
Type: article
Abstract: The novel oxadiazole based derivative was designed and synthesized. The docking study of designed compound was studied against tyrosinase ( PDB ID:3NM8) and the result of docking studies revealed that all the compounds possess significant to moderate interaction with the targeted enzyme. The designed molecules were docked along with the native ligand & reference standard donepenzil. The docking energy of our designed compounds ranged from 7 to 11 Kcal/mol indicate good binding affinities to the target receptor, derivatives 1 and 2 (-10.8 kcal/mol) showed a significant binding energy towards the target enzyme. The compounds 2 and 3 posses 2 hydrogen bond between amino acids ASP 400 and ASP 404. The roles of certain crucial amino acids in the ligand-binding domain of the human Acetylcholinesterase inhibitors were also established. Based on the experimental results, among all the compounds synthesized compound 5 substituted with chloro-benzene shows good inhibition (64 µg/mL) compared to all the tested compounds.
Author: T. Venkatachalam, D. Stella Mary*, N. Senthil Kumar
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W6893047906
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