“ An Efficient One Pot Multicomponent Synthesis of Dihydro Pyrazolyl Bithiazole Derivatives as Potential Anticancer Agents and Their Molecular Docking Studies”

A novel series of dihydropyrazolyl bithiazoles were efficiently synthesized through simple reaction conditions via one pot multicomponent reaction of 2-bromo-1-(4-methyl-2-phenyl thiazol-5-yl)ethan-1-one (1), thiosemicarbazide (2) and chalcones (3 a-k) in the presence of sodium hydroxide in ethanol under reflux condition. The reaction generates two potential five membered heterocylic pharmacophores i.e. Hantzsch thiazole and dihydropyrazole in one step through operational simplicity, shorter reaction time with high yields. The newly synthesized compounds were well characterized by IR, 1 H, 13 C NMR and Mass spectral data. All the newly synthesized compounds were evaluated for their anticancer activity against human cancer cell lines and calculated their binding energy values with respect to 3ert protein. The compounds 4f, 4g, 4h and 4j exhibited excellent activity against MCF-7 cancer cell line with IC 50 Values of 3.47 ± 0.28, 1.36 ± 0.74 , 3.76 ± 0.35 and 4.14 ± 0.26 µM concentrations and studied molecular interaction of probable target protein human Estrogen Receptor Alpha protein (3ert.pdb) using docking simulation.