Synthesis, Biological Properties and Comparative Molecular Docking Evaluation Studies of 1,3 and 1,4 Bis-Thiourea Derivatives as Potential Antimicrobial Resistant Agents

Wan Sharifatun Handayani, Wan Zullkiplee and Ferlicia, Rasin and Ainaa Nadiah, Abd Halim and Zainab, Ngaini and Nur Arif, Mortadza and Noratikah, Ramli and Nur Izma, Hani (2021) Synthesis, Biological Properties and Comparative Molecular Docking Evaluation Studies of 1,3 and 1,4 Bis-Thiourea Derivatives as Potential Antimicrobial Resistant Agents. International Journal of Current Research and Review, 13 (4). pp. 23-30. ISSN 0975-5241

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Abstract

Introduction: Thiourea is one of the promising class of compounds that possess various pharmacological activity including antibacterial properties. Objective: The rise of microbial resistant drugs has triggered an alarming response among researchers to developed new drugs with effective biological properties. The position of substituents and active pharmacophores play an important role in designing a lead compound with effective biological properties. Methods: In this study, two series of 1,3-bis-thiourea derivatives (3a-l) and 1,4 bis-thiourea derivatives (4a-l) were synthesised from the reaction of isophthaloyl diisothiocyanate intermediates with halogenated amines. Results: The comparative studies of antibacterial properties of 3a-l and 4a-l against the growth of E. coli showed the minimum inhibition of 3g (7mm inhibition) and 4g (18mm inhibition) compared to standard drug ampicillin (16mm inhibition). Molecular docking evaluation against E. coli DNA gyrase B showed strong binding interaction of 4g with binding affinity -6.7 kcal/mol and more hydrogen bond compared to 3g with binding affinity -6.4 kcal/mol). Conclusion: The study is significant in drug design in particular for the development of potential drugs with antimicrobial resistant properties.

Item Type: Article
Uncontrolled Keywords: Anilines, Carbamothioyl, Escherichia coliform, Halogens.
Subjects: Q Science > Q Science (General)
Q Science > QD Chemistry
Divisions: Academic Faculties, Institutes and Centres > Centre for Pre-University Studies
Depositing User: Ngaini
Date Deposited: 01 Mar 2021 05:00
Last Modified: 01 Mar 2021 05:00
URI: http://ir.unimas.my/id/eprint/34609

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