Zeitschrift für klinische Toxikologie
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Synthesis, Characterization, Biological Activities and Molecular Docking of New Benzenesulfonamide Drugs

Hussein S Mohamed* , Zeinab S Hamza, Amany M Nagdy, Sayed A Ahmed, Osama M Ahmed

There studies centering the potential usage of benzensulfonamide derivatives as anticancer agents are still limited. So, in this study, a series of new sulfonamide drugs were synthesized by the reaction of aldehydes thiosemi carbazones derivatives with benzene sulphonyl chloride to form benzylidene-N-(phenylsulfonyl) hydrazine-1-carbothioamide derivatives. Spectral techniques like Fourier Transformer Infrared Analysis (FTIR), Proton Nuclear Magnetic Resonance (1HNMR) and Mass spectroscopy were used to characterize the newly synthesized compounds. The two derivatives, 2-benzylidene-N-(phenylsulfonyl) hydrazine-1-carbothioamide (4a) and 2-(4-chloro benzylidene)-N-(phenylsulfonyl) hydrazine-1-carbothioamide (4d) exhibited the most potent anticancer effects against MCF-7 breast carcinoma cell lines. Meanwhile, these two derivatives showed the lowest antioxidant activities. To study the study of anti-breast cancer activity of the newly synthesized compounds, molecular docking study were used to analyze the binding energy for the non-bonding interactions between the ligand (studied compounds) and receptor (4PYP (pdb code: 4FA2) against human breast cancer (MCF-7) cells. The bioavailability of all studied compounds was confirmed by pharmacological investigations using molinspiration and ADMET online servers.