Synthesis of focused library of novel aryloxyacids and pyrazoline derivatives: Molecular docking studies and antimicrobial investigation

Shubhalaxmi, . and Pathak, Lokesh and Ananda, K and Bhat, Subrahmanya K (2016) Synthesis of focused library of novel aryloxyacids and pyrazoline derivatives: Molecular docking studies and antimicrobial investigation. Cognet Chemistry, 2 (1). -18.

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Abstract

Infectious diseases are on the rise due to development of multidrugresistant strains, and this renders the search for newer antimicrobials. Hybrid compounds of different scaffolds are expected to enhance the bioactivity by improved affinity to target proteins while retaining the biological efficacy of each of the components. In view of this, a series of pyrazolines with aryloxy acid in the side chain are synthesized and evaluated for their antimicrobial potential. Pyrazolinesubstituted aryloxy acids were synthesized in very good yields, starting from chalcones. Synthetic method is adopted in such a way that the use of any solvents is avoided. The structures of these compounds were confirmed using FTIR, NMR, and Mass spectrometry. The potential of these molecules as antimicrobial agents was predicted using molecular docking studies. The activities were also assessed using zone of inhibition and minimum inhibitory concentration (MIC) measurement against tuberculosis variant bacteria, Mycobacterium smegmatis; Gram-positive pathogen, Staphylococcus aureus; Gram-negative Escherichia coli; and fungi, Candida albicans. The positional isomers with the electron-withdrawing group farthest from the acid function showed the best activity in both chalcone acids as well as pyrazoline acids . Many of the compounds exhibited zones of inhibition comparable with the standard drugs, ciprofloxacin and fluconazole, considered for the study. Although many compounds exhibited significant zones of inhibition, their minimum inhibitory concentrations established by broth assay were higher, suggesting these molecules are not potent at lower concentrations

Item Type: Article
Uncontrolled Keywords: pyrazoline; aryloxyacetic acid; chalcone; molecular docking; antimicrobial
Subjects: Engineering > MIT Manipal > Chemistry
Depositing User: MIT Library
Date Deposited: 26 Mar 2016 13:43
Last Modified: 26 Mar 2016 13:49
URI: http://eprints.manipal.edu/id/eprint/145652

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