Synthesis and Molecular Docking Study of 4-(3-(2-Chlorophenyl)-5-(2-Methoxyphenyl)-4,5-Dihydro-1H-Pyrazol-1-yl) Benzenesulfonamide as Antibreast Cancer Agent

Abstract

<p>Breast cancer is a disease in which cells in the breast tissue change and divide in an uncontrolled way. Pyrazoline is a promising agent reported against cancer. In this work, we have synthesized pyrazoline 4-(3-(2-chlorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1<em>H</em>-pyrazol-1-yl) benzenesulfonamide (<strong>EMP-1</strong>). The reaction was successfully carried out in one-pot three components from 2-chloroacetophenone, 2-methoxybenzaldehyde, and 4-hydrazinylbenzenesulfonamide as starting materials. The reaction was conducted by assisting the irradiation of Monowave 50 (Anton-Paar) with a high yield of 91%. Its potential anti-breast cancer was investigated by molecular docking and dynamic studies. The molecular docking study showed that <strong>EMP-1</strong> had binding energy of -7.17 kcal/mol. The spatial arrangement of <strong>EMP-1</strong> was similar to the positive control of doxorubicin. These results indicate that <strong>EMP-1</strong> compound potentially developed as anti-breast cancer.</p>