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Synthesis, Molecular Docking Studies and Anti-mycobacterial Evaluation of N-(Malon-substituted-anilic)-4-phenyl Thiosemicarbazide
* 1 , 2 , 3
1  Department of Chemistry J. K. Lakshmipat University, Jaipur (Rajasthan)-302026, India.
2  Department of Chemistry, School of Chemical Sciences, St. John's College, Agra (Uttar Pradesh)-282002, India.
3  BioDiscovery-Solutions for future Plot No 29, FF2, 2nd street, Pearl Astragal Apartment, Perumbakkam, off Medavakkam, Solinganallur Main Road, Chennai (Tamil Nadu)-600100, India.

Abstract: Tuberculosis remains the most important communicable disease in the world. Tuberculosis (TB) is an infection, primarily in the lungs (a pneumonia), caused by bacteria called Mycobacterium tuberculosis. Along with the recent increase in cases of tuberculosis, there is a progressive increase in multidrug resistant (MDR) tuberculosis. It was declared since 1993 by the World Health Organization (WHO), a global health emergency. The resurgence of TB became a serious world-wide problem during the period 1985–1992, particularly in people infected with the human immunodeficiency virus (HIV). At present, TB kills four people every minute some-where in the world and accounts about two million deaths per year. Based on the trend over the past few years, a total of 225 million new cases and 79 million deaths are expected from tuberculosis between 1998 and 2030. Therefore, the increasing clinical importance of drug-resistant mycobacterial pathogens has lent additional urgency to microbiological research and new anti-mycobacterial compound development. For this purpose, new malonamic acid thiosemicarbazide derivatives were synthesized and evaluated for anti-tubercular activity. The 12 new synthesized thiosemicarbazides were prepared by the condensation of freshly distilled diethyl malonate and primary aromatic amine which furnished hydrazide and further these hydrazides were treated with phenylisothiocynate to obtain the title compounds. The structures were confirmed by their 1H-NMR, IR and mass spectral data. Computational studies were undertaken to test the inhibitory effect of the synthesized molecule on protein kinase PKnB from Mycobacterium tuberculosis followed by anti-tubercular activity screening against H37Rv employing REMA (Resazurin microtitre assay) method. Details of experimental procedure, purification, elemental and spectroscopic characterization, molecular docking and anti-mycobacterial screening methods will be presented during the meeting.
Keywords: thiosemicarbazide, synthesis, molecular docking, anti-mycobacterial activity