New quinazolone–sulfonate conjugates with an acetohydrazide linker as potential antimicrobial agents: design, synthesis and molecular docking simulations
Asmaa F. Kassem, Sherif S. Ragab, Mohamed A. Omar, Najla Altwaijry, Mohamed Abdelraof, Ahmed Temirak, Asmaa Saleh, Aladdin M. Srour
Abstract
, two-fold efficacy more than that was recorded with sulfadiazine. Furthermore, 5k significantly prevented biofilm formation for all bacterial pathogens, with a percentage ratio reaching 63.9%, surpassing the standard drug Ciprofloxacin. Additionally, 5k caused elevated lipid peroxidation (LPO) when added to the tested microbial pathogens. Confocal Laser Scanning Microscopy (CLSM) visualization revealed fewer live cells after treatment. Molecular docking studies showed that the quinazolinone derivatives bind strongly to the DNA gyrase enzyme, with the acid hydrazide core interacting effectively with key residues GLU50, ASN46, GLY77, and ASP136, consistent with their antimicrobial activity. Additionally, these compounds exhibited promising physicochemical properties, paving the way for discovering new antimicrobial drugs.