@article{MOURAD_ALAHMAD_2022, title={A COMPUTATIONAL STUDY OF CIPROFLOXACIN METABOLITES AND SOME NATURAL COMPOUNDS AGAINST RESISTANT METHICILLIN STAPHYLOCOCCUS AUREUS (MRSA)}, volume={14}, url={https://journals.innovareacademics.in/index.php/ijpps/article/view/44560}, DOI={10.22159/ijpps.2022v14i8.44560}, abstractNote={<p><strong>Objective</strong>: In this paper, a computational study, including molecular docking, was accomplished for ciprofloxacin metabolites and some natural compounds, then a practical study of that compounds alone and in combination was applied against resistant methicillin <em>STAPHYLOCOCCUS AUREUS </em>(MRSA) isolates.</p> <p><strong>Methods</strong>: A docking software was used for molecular docking of the enzyme isomerase (3UWZ from protein data bank PDB) with ciprofloxacin (CIP) and its metabolites like sulfo-ciprofloxacin (Sulfo-CIP), oxo-ciprofloxacin, desethylene-ciprofloxacin, acetyl-ciprofloxacin, and natural compounds such as flavonoids (rutin, quercetin, hesperidin), phenols (thymol, gallic acid), phenolic acids (salicylic acid), terpenoids (menthol, eucalyptol) and coumarins (7-hydroxy coumarin). An antibacterial application for the highest binding energy of metabolites and natural compounds alone and in combination by using well diffusion method applied to ten of (MRSA) isolates.</p> <p><strong>Results</strong>: Docking results revealed that rutin, CIP, and Sulfo-CIP were the highest binding energy values of-106.76,-104.64, and-102.23 K/cal, respectively. The diameter of the inhibition zone pointed to the antibacterial activity against MRSA isolates, and it showed a range from 16-18, 18-22, and 18-19 mm in order. But the inhibition zone diameter in the combination of rutin with Sulfo-CIP ranged from 28 to 35 mm.</p> <p><strong>Conclusion</strong>: Metabolite Sulfo-CIP showed up high antibacterial activity close to CIP theoretically and <em>in vitro</em>; also, the relationship with natural compound rutin showed a synergistic effect.</p>}, number={8}, journal={International Journal of Pharmacy and Pharmaceutical Sciences}, author={MOURAD, THANAA and ALAHMAD, SHUAIB}, year={2022}, month={Aug.}, pages={22–28} }