title: EGFR inhibition studies by hybrid scaffolds for their activity against ovarian cancer.
abstract: OBJECTIVE
  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.
  
  
  CONCLUSIONS
  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.
authors.affiliation: Integrated Department, Hebei University Health Science Center, Hebei 071000, China.
authors.forename: Feng
authors.initials: F
authors.lastname: Zhang
authors.forename: Hongyan
authors.initials: H
authors.lastname: Zhang
authors.forename: Fang
authors.initials: F
authors.lastname: Wang
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry / Q000494:pharmacology*; D045744:Cell Line, Tumor; D002465:Cell Movement / Q000187:drug effects; D049109:Cell Proliferation / Q000187:drug effects; D017076:Computer-Aided Design; D004305:Dose-Response Relationship, Drug; D015195:Drug Design; D066246:ErbB Receptors / Q000037:antagonists & inhibitors* / Q000378:metabolism; D005260:Female; D006801:Humans; D007211:Indoles / Q000737:chemistry / Q000494:pharmacology*; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D010051:Ovarian Neoplasms / Q000188:drug therapy* / Q000201:enzymology / Q000473:pathology; D047428:Protein Kinase Inhibitors / Q000737:chemistry / Q000494:pharmacology*; D011799:Quinazolines / Q000737:chemistry / Q000494:pharmacology*; D013329:Structure-Activity Relationship
chemical_list: D000970:Antineoplastic Agents; D007211:Indoles; D047428:Protein Kinase Inhibitors; D011799:Quinazolines; C512478:EGFR protein, human; D066246:ErbB Receptors