Design, Facile synthesis, and Characterization of sulfonamide derivatives combined with amino acids and other drugs targeting HER2

Abstract

Researchers have discovered that tyrosine kinase plays a significant role in cancer development. As a result, certain studies focused on synthesizing sulfonamide compounds due to their potent tyrosine kinase inhibitory (TKI). The designed compounds were docked against (HER2) human epidermal growth factor receptor 2 (PDB ID: 3pp0) to identify potential prospects for new cancer drugs. Docking studies using Molegro virtual docker (MVD) revealed the most favorable binding energy among our compounds. In total, all synthesized compounds had binding energies ranging from (-112.893 to -154.396kcal/mol) corresponding to (3a and 1a) respectively. It was found that compound 1a possessed the best binding energy value of synthesized compounds (-154.396 kcal/mol) compared to the recommended drug; trastuzumab (-133,419kcal/mol). Several of the newly designed sulfonamide derivatives were synthesized. An alkaline phase was used in our synthesis to combine some amino acids, sulfamethoxazole, and sulfadiazine with benzenesulfonyl chloride derivatives. The synthesis method was simple and cheap with yields ranging between (60.4% - 80%). Nuclear magnetic resonance spectroscopy, mass spectrometry, and infrared spectroscopy were used to characterize our compounds.