QSAR STUDIES, SYNTHESIS AND BIOLOGICAL EVALUATION OF PYRAZOLE DERIVATIVES CONTAINING THIOUREA AS TYROSINE KINASE INHIBITORS: AN APPROACH TO DESIGN ANTICANCER AGENTSAbstract
A series of pyrazole derivatives designing for potential EGFR kinase inhibitors have been discovered. Some of them exhibited significant EGFR inhibitory activity. Compound 3-(4-Amino-phenyl)-5-(3-nitro-phenyl)-4, 5-dihydro-pyrazole-1-carbothioic acid amide (AP-2) displayed the most potent EGFR inhibitory activity. The QSAR analysis of a set of these compounds tested for growth inhibitory activity against EGFR were performed by using the computer-assisted multiple regression procedure. The activity contributions for substituent effects of these compounds were determined from the correlation equation for predictions of the lead optimization. QSAR analysis of these compounds was performed by multiple regression analysis in order to predict the lead optimization for anticancer activity against EGFR.
A. Singh * and P. K. Singour
Computational & Synthetic Chemistry Division, Department of Pharmaceutical Chemistry, VNS Faculty of Pharmacy, Bhopal, Madhya Pradesh, India.
06 September 2019
12 August 2020
14 August 2020
01 September 2020