Synthesis and molecular design of mono aspirinate thiourea-azo hybrid molecules as potential antibacterial agents

Zainab, Ngaini and Wan Zullkiplee, Wan Sharifatun H. and Abd Halim, Ainaa Nadiah (2021) Synthesis and molecular design of mono aspirinate thiourea-azo hybrid molecules as potential antibacterial agents. PHOSPHORUS, SULFUR, AND SILICON AND THE RELATED ELEMENTS, 196 (3). pp. 275-282. ISSN 1563-5325

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Official URL: https://www.tandfonline.com/toc/gpss20/current

Abstract

New mono aspirinate thiourea-azo derivatives 2a–f were synthesized using aspirin as a natural product-based precursor, with 4-aminophenylazophenol derivatives in excellent 70–90% yields. Overall, 2a–f gave excellent antibacterial activity against Staphylococcus aureus S48/81 and 2-(((3- ((2-bromophenyl)diazenyl)-4-hydroxyphenyl)carbamothioyl)carbamoyl)phenyl acetate (2d) exhibited a larger zone of inhibition 10mm, comparable to the standard ampicillin. The molecular docking analysis of 2d against S. aureus tyrosyl-tRNA synthetase protein displayed a free energy interaction of �7.7 kcal/mol compared to aspirin (�6.4 kcal/mol).

Item Type: Article
Uncontrolled Keywords: Aspirin; molecular docking; S. aureus; E. coli; antimicrobial.
Subjects: Q Science > Q Science (General)
Q Science > QD Chemistry
Divisions: Academic Faculties, Institutes and Centres > Faculty of Resource Science and Technology
Depositing User: Ngaini
Date Deposited: 03 Mar 2021 08:37
Last Modified: 05 Mar 2021 02:50
URI: http://ir.unimas.my/id/eprint/34663

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