Synthesis, Molecular Docking Studies of Novel 4-(Substituted Phenyl Amino)-6-(Substituted Aniline)-N’-Aryl-1,3,5-Triazine-2-Carbahydrazide Derivatives As Potent Antitubercular Agents

A series of 4-(substituted phenyl amino)-6-(substituted aniline)-N’-aryl-1,3,5-triazine-2-carbahydrazide derivatives were synthesized under microwave irradiation and evaluated for their antimycobacterial activity and in-silico (molecular docking studies) to recognize the hypothetical binding motif of the title compounds using VLifeMDS software. The binding mode of the title compounds has been proposed based on the docking studies. They have interesting pharmacophore that display a broad spectrum of biological activity. Triazine derivatives have shown diverse pharmacological actions. Different derivatives have been prepared by synthesizing the hybrid structure of triazine and existing drugs. While taking into consideration we have tried to make hybrid with antitubercular drug Isoniazid. Simultaneously triazine ring is substituted with different various aromatic hydrazides and aromatic amines. Among all heterocycles, the triazine scaffold occupies a prominent position, possessing a broad range of biological activities and their structure activity relationship has generated interest among medicinal chemists and this has culminated in the discovery of several lead molecules. The antimycobacterial activity of compounds were assessed against M. tuberculosis using microplate Alamar Blue assay (MABA). This methodology is non-toxic, uses a thermally stable reagent and shows good correlation with proportional and BACTEC radiometric method.