Computational study of ciprofloxacin metabolites and some natural compounds against resistantmethicillin staphylococcus aureus (MRSA)
By: Mourad, Thanaa
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Contributor(s): Shuaibalahmad.
Publisher: M P Innovare Academic Sciences Pvt Ltd 2022Edition: Vol.14(8), Jun.Description: 22-28p.Subject(s): PHARMACEUTICSOnline resources: Click here
In:
International journal of pharmacy and pharmaceutical scienceSummary: Objective:Inthis 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 incombination was applied against resistant methicillin STAPHYLOCOCCUS AUREUS (MRSA) isolates. Methods: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.Results: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.Conclusion:Metabolite Sulfo-CIP showed up high antibacterial activity close to CIP theoretically and in vitro; also, the relationship with natural compound rutin showed a synergistic effect.
| Item type | Current location | Call number | Status | Date due | Barcode | Item holds |
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Articles Abstract Database
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School of Pharmacy Archieval Section | Not for loan | 2022-1910 |
Objective:Inthis 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 incombination was applied against resistant methicillin STAPHYLOCOCCUS AUREUS (MRSA) isolates. Methods: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.Results: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.Conclusion:Metabolite Sulfo-CIP showed up high antibacterial activity close to CIP theoretically and in vitro; also, the relationship with natural compound rutin showed a synergistic effect.
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