Synthesis, FT-IR, DFT and in silico Antibacterial Activity Studies of Silver Nitrate Complex of Chlorzoxazone

In this study, it was aimed to produce a new potential antibacterial agent using Chlorzoxazone and silver nitrate. Within the scope of the study, CZX.AgNO3 structure was synthesized by chemical synthesis methods. The structure was experimentally characterized by FT-IR and elemental analysis. In addition, the optimized structure and vibration frequencies were obtained by the DFT method. After characterization, ADME and toxicity parameters of the new molecule were revealed using in silico methods. In order to determine the antibacterial effect of the molecule, molecular docking studies were performed on gram+ Staphylococcus aureus bacteria, and the data were compared with the frequently used antibiotic clindamycin. The results revealed the ADME, toxicity, and antibacterial effect of the new compound CZX.AgNO3 is quite superior.