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SYNTHESIS AND MOLECUAR DOCKING STUDY OF NOVEL 2- PHENYL QUINAZOLINE -4(-3H-)-ONE DERIVATIVE AS COX-2 INHIBITOR

Kavitha K*, Srinivasan N, Hari Babu Y, Suresh R

A new class of cox-2 inhibitors of novel 2 phenyl 3 substituted aniline derivatives were synthesized using anthranillic acid as starting material in three step reaction. The purity of the newly synthesized compounds were tested by TLC and melting point and recrystalisation by ethanol, structures were confirmed by using UV, IR, 1H-NMR spectra. Assortment of literature cancer is one of the leading cause of death worldwide ,also one of the mechanism of action ,cancer drugs has to inhibit COX-2.furthermore quinazolinone class of drugs or compounds have anticancer activity which possess epidermal growth factor receptor(EGFR inhibitors).in this research virtual screening were carried out by docking the design of compounds in to binding site of COX-2 enzyme (PDB 5f19) to predict if these compounds had analogous binding mode to the COX-2 inhibitor. Results were produced in the form of bond energy, indicated by the value of RS.the small RS small RS value indicated a molecular bond that was stable and predictable had high activity. The smallest RS value was -372.26 kcal/mol and synthesized ranged between 70-85%. Key words: phenyl quinazolinone, COX-2, molecular docking, cancer, aniline derivatives.

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