Beta
365820

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

Article

Last updated: 24 Dec 2024

Subjects

-

Tags

Pharmacology

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.

DOI

10.21608/bvmj.2024.284813.1816

Keywords

Foodborne pathogens, pomegranate, Molasses, Computational study, Biocontrol

Authors

First Name

Hanaa

Last Name

Bekeir

MiddleName

S.

Affiliation

1Department 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.

Email

hanaa.bekier1@fvtm.bu.edu.eg

City

Tanta

Orcid

-

First Name

Ahmed

Last Name

Hamad

MiddleName

-

Affiliation

Department of Food Hygiene and Control, Faculty of Veterinary Medicine, Benha University, Benha 13736

Email

ahmed.alhussaini@fvtm.bu.edu.eg

City

-

Orcid

0000-0001-5037-9379

First Name

Nesreen

Last Name

Eleiwa

MiddleName

Z.

Affiliation

Food Hygiene Department, Agriculture Research Center, Animal Health Research Institute, Dokki, 12618, Giza, Egypt

Email

nesreen.zakeria@gmail.com

City

Giza

Orcid

-

First Name

reham

Last Name

Amin

MiddleName

A.

Affiliation

Department of Food Hygiene and Control, Faculty of Veterinary Medicine, Benha University, Benha 13736

Email

reham.abohussain@fvtm.bu.edu.eg

City

Benha

Orcid

-

Volume

46

Article Issue

2

Related Issue

48993

Issue Date

2024-07-01

Receive Date

2024-04-23

Publish Date

2024-07-01

Page Start

90

Page End

95

Print ISSN

1110-6581

Online ISSN

2974-4806

Link

https://bvmj.journals.ekb.eg/article_365820.html

Detail API

https://bvmj.journals.ekb.eg/service?article_code=365820

Order

365,820

Type

Original Article

Type Code

812

Publication Type

Journal

Publication Title

Benha Veterinary Medical Journal

Publication Link

https://bvmj.journals.ekb.eg/

MainTitle

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

Details

Type

Article

Created At

24 Dec 2024