احمد محمد الحسيني علي عبد الرحمن حماد
مدرس
Molecular Docking analysis of the antibacterial effect of pomegranate (Punica granatum) fruit molasses bioactive compounds
Benha Veterinary Medical Journal • 2024
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.
