Benha University

احمد محمد الحسيني علي عبد الرحمن حماد

مدرس

كلية الطب البيطري مراقبة الأغذية

Molecular Docking analysis of the antibacterial effect of pomegranate (Punica granatum) fruit molasses bioactive compounds

Benha Veterinary Medical Journal • 2024
العودة
معلومات البحث
المؤلفون Hanaa S. Bekir, Ahmed Hamad, Nesreen Z. Eleiwa, Reham A. Amin
الكلمات المفتاحية Meat Quality; Molecular Docking; Antibacterial effect
المجلة العلمية Benha Veterinary Medical Journal
الناشر Benha Veterinary Medical Journal
المجلد 46
العدد 2
الصفحات 90-95
publication.type Local
رابط البحث Open Link
المواد المرفقة Not Available
الملخص
Pomegranate molasses is a one of functional element that has generated extensive scientific attention in the search for effective bioactive natural compounds. The in-silico effects of pomegranate molasses on foodborne pathogens were investigated using molecular docking analysis, using the crystal structures of E. coli topoisomerase II DNA gyrase B as a target model. On the ATP-active pocket of E. coli DNA gyrase, the binding affinities and interactions of alliance acid, gallic acid, punicalagin, and punicalin were examined. According to the findings, novobiocin had a docking score of -6.30 Kcal/mol, whereas the bioactive components of the pomegranate molasses (punicalagin, punicalin, gallagic acid, and ellagic acid) adopted the best binding style with a score of -7.2 to -9.8 Kcal/mol. Our findings suggested that pomegranate molasses could provide powerful antibacterial agents and DNA gyrase inhibitors via unique structural properties that address antimicrobial resistance. They are being investigated further as a natural biocontrol agent.
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