In Silico Studies, Comparative Synthesis and Antibacterial Activity of Some Imine Derivatives of Isonicotinic Hydrazide

Francis M Agwom, Ezekiel O Afolabi, Kim J Bot, Naruka S Yakubu, Idowu J Olaitan and Junior T Kindala
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Idowu J Olaitan: Department of Pharmaceutical and Medicinal Chemistry, Faculty of Pharmaceutical Sciences, University of Jos, Nigeria
Junior T Kindala: Department of Chemistry, Faculty of Sciences, University of Kinshasha, DR Congo

Organic & Medicinal Chemistry International Journal, 2019, vol. 8, issue 5, 106-113

Abstract: The yield of synthesis of three derivatives of Isonicotic Hydrazide was compared using refluxing method at 95.C and stirring method at room temperature. The compounds obtained were characterized using IR, H1-NMR and MS spectroscopic techniques and were also assayed for antibacterial activity against Staphylococcus aureus, Escherichia coli, Proteus mirabilis and Klebsiella pneumonia. The possible interactions were studied using PyRx, Arguslab and iGEMDOCK software on bacterial protein targets 3g7e, 1tvf, 3mzd and 4kqr. The results revealed that dimethylamino derivative was obtained with high yield (84%) with stirring at room temperature and the vanillin derivative has the broadest activity across the entire organism tested with an MIC of 150μg against Proteus mirabilis. The docking studies revealed that all the compounds have good possible interaction with target receptors chosen. The Molinspiration and Molsoft bioactivity and drug scores shows that the compounds have good druggability features while the Badapple promiscuity filter identified these compounds as possible promiscuous compounds.

Keywords: juniper publishers:Medicinal Chemistry; Biochemistry Journal; Pharmacology Journal; biochemical pharmacology; molecular pharmacology; biochemistry; open access journals; peer reviewed journals; Open Access; Journal of Molecular Biochemistry; International Research Journal of Pure and Applied Chemistry; World Journal of Biological Chemistry; Biochemistry and Analytical Biochemistry; Biochemistry & Physiology: Open Access; Molecular Biology International; Plant Biochemistry & Physiology; International Journal of Molecular Sciences; Journal of Clinical and Medical Genomics; Environmental Analytical Chemistry; Medicinal Chemistry; Juniper publishers reivews (search for similar items in EconPapers)
Date: 2019
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Persistent link: https://EconPapers.repec.org/RePEc:adp:jomcij:v:8:y:2019:i:5:p:106-113

DOI: 10.19080/OMCIJ.2019.08.555747

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