This book describes series of quinoline hybrid thiosemicarbazide derivatives under microwave irradiation. Synthesized compounds were successfully applied against the biological studies. The docking study suggested that selected molecules were perfect, fit into the protein cavity with excellent G-score. Molecular dynamics study with 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 act as hit molecules in the future.