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SYNTHESIS, MOLECULAR DOCKING RESEARCH ON DUAL ENOYL ACP REDUCTASE AND MtDHFR ENZYME INHIBITORS, AND BIOLOGICAL ASSESSMENT OF SEVERAL NOVEL 4-(1H-PYRROL-1YL)BENZOHYDRAZIDE DERIVATIVES AS ANTIMYCOBACTERIAL AGENTS


Author: T. M. Inamdar and S. D. Joshi
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Abstract

In the present investigation, a series of N'((2-hydroxynaphthalen-1-yl)(substituted)methyl)-4-(1H-pyrrol- 1yl)benzohydrazide derivatives 4(a-j) were prepared, and the structure of these compounds was confirmed byIR, NMR and mass spectrum analysis. The antibacterial and antimycobacterial properties of the recently synthesizedtitle compounds were assessed. Promising antibacterial and antimycobacterial properties were demonstratedbycompounds 4a and 4f among those examined. The findings showed that at the lowest dose of 0.8 µg/mL, thesesubstances have anti-tubercular efficacy. All of these compounds have drug-like properties, according to the resultsof the expected ADMET studies. The Auto Dock Tool 1.5.6 program was used to dock inhibitors into InhAandMtDHFR enzyme, revealing the inhibitors' crucial interactions and binding conformation

Keywords: Molecular Docking, Pyrrolyl Benzohydrazides, Mycobacterium tuberculosis, Pyrrole Analogs.






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