Molecular Docking,Synthesis and Preliminary Anti-microbial Evaluation of Some New Sulfonohydrazide and 1,3,4-Oxadiaxzole Derivatives of Flurbiprofen
Year: 2025
Type: article
Abstract: A new series of compounds were derived from 2-(2-fluoro-[1,1'-biphenyl]-4-yl)propanoic acid by reacting flurbiprofen ethyl ester with hydrazine hydrate to get flurbiprofen hydrazid(III) which then reacted with three different sulfonyl chloride compounds (Benzenesulfonyl Chloride, 4-toleunesulfonyl Chloride, 4-chlorosulfonyl Chloride) in the existence of triethylamine. Additionally, compound (III) and carbon disulfide were reacted to yield oxadiazole 2-thione (compound V), which was subsequently reacted with 4-chlorophenacyl bromide and 4-bromophenacyl bromide to yield the final products (Va & Vb). For characterization of the final compounds, FT-IR and 1H-NMR spectroscopy were used . Each final compound(IVa-c,Va-b) was examined for their Anti-Microbial activity against G(+)ve bacteria (Streptococcus pyogenes, Staphylococcus aureus), G(-)ve bacteria (Escherichia coli, Klebsiella pneumoniae) and strain of fungi (Candida albicans). Compound (IVc) showed highest antimicrobial activity against G(-)ve and G(+)ve bacteria and Candida albicans fungi. The ADMET study of the resulting compounds exhibited desirable pharmacokinetic properties along with acceptable estimated drug-like properties. molecular docking revealed good molecular docking results with target protein using ciprofloxacin as the reference.
Authors: Hawraa Yusur Jassim, Mohammed Kamil Hadi
Institutions: Ministry of Health, University of Baghdad
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: diamond
Funder: University of Baghdad
OpenAlex ID: W4417536886