DOCKING STUDIES OF QUINAZOLINONES FUSED IMIDAZOLONES AS ANTICANCER AGENTS

A series of quinazolinones were synthesized in 2017 and characterised by IR, NMR, mass spectra and elemental analysis. All the compounds were evaluated for in vitro cytotoxicity against HeLa cell line (cervical cancer), MCF-7 (breast cancer), HL-60 (leukemia cells), and hepatocellular carcinoma (HepG2). Almost all compounds showed reliable results in comparison to reference cisplatin. In the present work, in silico study was performed on synthesized compounds taken from literature to support experimental findings or to accomplish preliminary confirmation of the observed in-vitro cytotoxicity using PDB ID(1TUB) & PDB ID(1MI7) by Molegro virtual docker 4.0.2. All the compounds showed effective binding with 1TUB in comparison to 1M17. Although these compounds have much resemblance in structure to Raltitrexed and Thymitaq which inhibit its EGFR tyrosine kinase by binding to the adenosine triphosphate (ATP)-binding site of the enzyme. But these are found to bind effectively with tubulin heterodimer (1TUB).