We appreciate the recommendation and agree with the reviewer that the computational and experimental results of antimicrobial activity differ to some extent in this part of the study and required further investigation to understand why such activity differs to the ligands by other means in the future. In this study, we successfully synthesized the novel ligands and studied its spectroscopy with other probable studies. Fortunately, we have found outstanding results during the chemo-sensor study and hopefully, we could be able to show the excellent usage of the ligands as a chemo-sensor in near future. Also, we are planning to do a fluorescence imaging study of protein-ligands.
Second one that is very important for this paper: The activity of L2 molecule against Bacillus Megaterium (PDB 4j6u) was significant with a binding energy of -8.8 kcal/mol and three hydrogen bond interactions, which reveals the antimicrobial activity of the molecule. Both compounds are biologically active, but their activity was moderate which did not support their efforts.