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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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 Faculties, Institutes, 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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