Synthesis, characterization and molecular docking studies of some new 1,3,4-oxadiazolines bearing 6-methylpyridine moiety for antimicrobial property

European Journal of Medicinal Chemistry
P C ShymaT Arulmoli

Abstract

A new series of 3-acetyl-2-aryl-2H/methyl-5-[3-(6-methylpyridinyl)]-2,3-dihydro-[1,3,4]-oxadiazole derivatives were synthesized from 6-methyl nicotinate through a multistep reaction sequence. The structures of newly synthesized compounds were established on the basis of elemental analysis, IR, 1H NMR, 13C NMR and mass spectral data. Three dimensional structure of the compound 5f was further confirmed by single crystal X-ray analysis. All the synthesized compounds were screened for their antimicrobial activity and antioxidant activity. The final compounds were subjected to molecular docking studies for the inhibition of enzyme L-glutamine: D-fructose-6-phosphate amidotransferase [GlcN-6-P] (EC 2.6.1.16). The in silico molecular docking results are matching with the in vitro studies and they may be considered as good inhibitor of GlcN-6-P synthase.6-methylpyridine.

Citations

Feb 15, 2014·Acta Crystallographica. Section E, Structure Reports Online·N VinuthaD Revannasiddaiah
Feb 10, 2017·Zeitschrift Für Naturforschung. C, a Journal of Biosciences·Patel NavinGildardo Rivera
Oct 17, 2018·Mini Reviews in Medicinal Chemistry·Garima VermaMohammad Shaquiquzzaman
Dec 17, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Kinga ParuchMonika Wujec

Related Concepts

Microbicides
Oxadiazoles
Pyridines
Crystallography, X-Ray
Molecular Docking Analysis
Antibiotics
Oxadiazoles
fructose-6-phosphate
Glucosamine 6-phosphate
Methylnicotinate

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