Ahmed Mohamed Alhussaini Ali Abdel Rahman Hamad
Lecturer
Molecular Docking analysis of the antibacterial effect of pomegranate (Punica granatum) fruit molasses bioactive compounds
Benha Veterinary Medical Journal • 2024
Publication Information
Authors
Hanaa S. Bekir, Ahmed Hamad, Nesreen Z. Eleiwa, Reham A. Amin
Keywords
Meat Quality; Molecular Docking; Antibacterial effect
Journal
Benha Veterinary Medical Journal
Publisher
Benha Veterinary Medical Journal
Volume
46
Issue
2
Pages
90-95
publication.type
Local
Paper Link
Open Link
Supplementary Materials
Not Available
Abstract
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.
