Thiazole fused thiosemicarbazones: Microwave-assisted synthesis, biological evaluation and molecular docking study

In the present study, series of novel compounds (E)-2-(1-(4-methyl-2-(substituted-phenylamino)thiazol-5-yl)ethylidene)hydrazinecarbothio-amide (5a-j) and (E)-N-cyclohexyl-2-(1-(4-methyl-2-(substituted-phenylamino)thiazol-5-yl)ethylidene)hydrazinecarbothioamide (6a-j) have been synthesized using microwave irradiation method in high yields and characterized by IR, H-1 NMR, C-13 NMR and mass spectral analysis. Synthesized compounds were evaluated for their in-vitro antimicrobial, antimalarial and anti-tuberculosis activity as well as in-silico study. The obtained results indicate that compound 6b and 6g were found to be the most potent against S. aureus bacterial strain. Further, the molecular docking study has been performed for all the new compounds with the immune system of S. aureus (PDB ID: 5D1Q) as a target enzyme, and this study validated the experimental results. (C) 2018 Elsevier B.V. All rights reserved.