Molecular Docking analysis of the antibacterial effect of pomegranate (Punica granatum) fruit molasses bioactive compounds | ||
| Benha Veterinary Medical Journal | ||
| Volume 46, Issue 2, July 2024, Pages 90-95 PDF (726.93 K) | ||
| Document Type: Original Article | ||
| DOI: 10.21608/bvmj.2024.284813.1816 | ||
| Authors | ||
| Hanaa S. Bekeir1; Ahmed Hamad* 2; Nesreen Z. Eleiwa3; reham A. Amin2 | ||
| 11Department of Food Hygiene and Control, Faculty of Veterinary Medicine, Benha University, Benha 13736 2Directorate of Veterinary Medicine, General Organization for Veterinary Services, Tanta, 31521, El-Gharbia, Egypt. | ||
| 2Department of Food Hygiene and Control, Faculty of Veterinary Medicine, Benha University, Benha 13736 | ||
| 3Food Hygiene Department, Agriculture Research Center, Animal Health Research Institute, Dokki, 12618, Giza, Egypt | ||
| 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. | ||
| Keywords | ||
| Foodborne pathogens; Pomegranate; Molasses; computational study; Biocontrol | ||
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