PURPOSE: A series of quinazoline isatine hybrid derivatives were designed and their molecular docking studies were performed to ascertain the inhibition of EGFR by these hybrids. METHODS: Molecular modelling and docking methods were employed to design and synthesize the molecules. The compounds which showed good binding properties were synthesized and characterized. After structural confirmation of these compounds they were evaluated for their antiproliferative activity on OVCAR-3 ovarian cancer cell line. RESULTS: These compounds were further evaluated for EGFR inhibitory activity and cell migration studies. It was found that the O-05 compound had the most potent inhibitory activity (IC50=2.11 μM for OVCAR-3 and IC50=0.46 μM for EGFR). The O-05 compound was found to be a potential antitumor agent as per its pharmacological activity, molecular docking, and inhibition of OVCAR-3 cells. CONCLUSION: The compound O-05 or its structural analogs can be developed into potential lead molecules for the development of potential clinical agents for ovarian cancer.
PURPOSE: A series of quinazoline isatine hybrid derivatives were designed and their molecular docking studies were performed to ascertain the inhibition of EGFR by these hybrids. METHODS: Molecular modelling and docking methods were employed to design and synthesize the molecules. The compounds which showed good binding properties were synthesized and characterized. After structural confirmation of these compounds they were evaluated for their antiproliferative activity on OVCAR-3 ovarian cancer cell line. RESULTS: These compounds were further evaluated for EGFR inhibitory activity and cell migration studies. It was found that the O-05 compound had the most potent inhibitory activity (IC50=2.11 μM for OVCAR-3 and IC50=0.46 μM for EGFR). The O-05 compound was found to be a potential antitumor agent as per its pharmacological activity, molecular docking, and inhibition of OVCAR-3 cells. CONCLUSION: The compound O-05 or its structural analogs can be developed into potential lead molecules for the development of potential clinical agents for ovarian cancer.