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N'-(Substitutedbenzylidene)-3-(2-nitrophenylamino)-3-oxopropanehydrazide: Synthesis, Molecular Docking Studies and Anti-mycobacterial Screenings
Published: 30 October 2012 by MDPI in The 16th International Electronic Conference on Synthetic Organic Chemistry session Bioorganic, Medicinal and Natural Products
Abstract: The problem of tuberculosis (TB) drug resistance and the continuing rise in the disease incidence has prompted the research on new drug development as well as on increasing the understanding of the mechanisms of drug resistance. The full therapeutic possibilities of hydrazides were realized after the discovery of isonicotinic acid hydrazide (INH). Hydrazides and their derivatives have been described as useful synthons of various heterocyclic rings. Hydrazide-hydrazones have been reported to possess a wide variety of pharmacological activities such as anti-bacterial, anti-convulsant, anti-inflammatory, antitubercular, intestinal antiseptic, anti-depressant, or anti-platelet activity. A survey of literature reveals that extensive work has been done on the condensation products of hydrazides i.e. hydrazones, which exhibits a wide range of biological activity variations. These properties prompted us to synthesize some new malonamic acid hydrazones. Molecular docking was performed to study the binding activity of synthesized hydrazones onto the active site of Mycobacterium tuberculosis protein kinase B (PKnB) in an effort to increase the understanding of the action and resistance of synthesized hydrazone in this bacterium. Protein kinases B (PKnB) plays an important role in mammalian cellular signaling. Mycobacterium tuberculosis PknB is an essential receptor-like protein kinase involved in cell growth control. M. tuberculosis PKnB is a trans-membrane Ser/Thr protein kinase (STPK) highly conserved in Gram-positive bacteria and apparently essential for mycobacterial viability. We have attempted with the help of a docking approach to elucidate the extent of specificity of protein kinase B towards synthesized compound, as anti-tubercular agent. These newly synthesized compounds were screened for their anti-mycobacterial activities against Mycobacterium tuberculosis H37Rv using Resazurin micro-titre assay method. Details of synthetic methodology, characterization, computational and biological activity screenings will be presented during conference.
Keywords: hydrazones, synthesis, molcecular doking, Mycobacterium tuberculosis, Resazurin micro titre assay