STRUCTURAL DOCKING STUDIES AND BIOLOGICAL EVALUATION OF SOME NEWLY SYNTHESIZED SCHIFF BASE DERIVED QUINAZOLINONE DERIVATIVESAbstract
Present studies describe the synthesis of a series of Schiff base derived quinazolinone derivatives (6-14) with the aim to have better anti inflammatory agents. The prepared compounds were characterized using chemical and spectral (IR, NMR and Mass) studies. Pharmacological evaluation of the newly synthesized derivatives indicated that compounds 8, 11 and 14 exhibit significant anti-inflammatory activity in carrageenan-induced rat paw oedema assay, and their effects are found to be comparable that of standard drug Indomethacin. Molecular docking studies were further employed to investigate the binding interactions to COX-2 active site residues and to study the stability of docked conformation in detail. The experimentally determined COX-2 inhibitory activity was found to be well correlating with binding modes predicted for compounds by GLIDE dock scoring function. The 2,3-diaryl-2,3-dihydro-1H-quinazolin-4-one pharmacophore reported herein represents a new lead for further development of novel non-steroidal anti-inflammatory agents.
P. Arora, K. Kaur, R. Kaur and N. Dhingra*
University Institute of Pharmaceutical Sciences, Panjab University, Chandigarh, Punjab, India.
10 April, 2017
27 June, 2017
17 September, 2017
01 December, 2017