We have synthesized a series of quinoline hybrid thiosemicarbazide derivatives under microwave irradiation. Synthesized compounds were successfully applied against the biological studies. Compounds 7a, 7g, 7k exhibited potent activity againstP. aeruginosa, compounds 7a, 7f,7h,7r showed excellent activity against E.coli, compounds 7a, 7b, 7c, 7e, 7f, 7l, 7o, 7p, 7q and 7sexhibited good activity against plasmodium falciparum strain. The docking study was performed on selected three proteins 3JSU, 4DP3 and 1J3K. Compounds7b (-8.32) and 7i (-8.22) were selected in 3JSU, compounds7c (-7.23) and 7l (-5.82) were selected in 4DP3 for the best binding possess, compounds7b (-4.323) and 7l (-3.039) were selected in 1J3Kfor the best binding possess. The docking study was suggested that selected molecules were perfect, fit into the protein cavity with excellent G-score. Molecular dynamics study of compound 7ewith protein (PDB: 3JSU) studied in Schrodinger software, Pharmacophore study and ADME-Tox were carried out for the drug-likeness properties. This study proved that our molecules could be act as hit molecules in the future.

Dhaval B. Patel é um investigador no domínio da química, com especialização em síntese orgânica.