MICROWAVE IRRADIATED SYNTHESIS, BIOLOGICAL EVALUATION AND MOLECULAR DOCKING STUDIES OF 3-((SUBSTITUTED-BENZO[D]THIAZOL-2-YLAMINO)METHYL)-5-(PYRIDIN-4-YL)-1,3,4-OXADIAZOLE-2(3H)-THIONE

A series of new Mannich base derivatives were designed, synthesized by conventional and non-conventional microwave method, compared and evaluated for their antimicrobial and anti-mycobacterial activity. Structures of the newly synthesized compounds were assigned on the basis of elemental analysis, IR, 1H NMR, 13C NMR and mass spectral studies. The bioactive assay showed that Mannich base derivative 1c displayed encouraging anti-tubercular activity in vitro against Mycobacterium tuberculosis H37Ra using MABA method in primary screening. The antibacterial and antifungal efficacy of these derivatives using broth micro dilution method, showed potency for 1c against Escherichia coli, 1g against Staphylococcus aureus, Candida albicans and 1j against Candida albicans in comparison with reference drugs. Furthermore, docking study has been performed for three different PDBs (3JZF, 4NZ9 and 2WHF) of different strains that showed good binding interactions. Moreover, the synthesized compounds were also analyzed for ADME properties and showed potential to build up as good oral drug candidates.