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351171

Evaluation of <i>Pomegranate granatum</i> Compounds’ as Potential Inhibitors of H. pylori RdxA : A Computational Approach

Article

Last updated: 23 Dec 2024

Subjects

-

Tags

Section B: Pharmaceutical Analytical & Organic Chemistry, Medicinal & Biochemistry

Abstract

Background and Objective. Helicobacter pylori (H.pylori) is among the major risk factors for gastritis. H pylori is becoming resistance to commonly used antibiotic and thus it is necessary to search for an alternative treatment. Pomegranate granatum (PG) is a plant commonly used for the treatment of variety of diseases as it shown to possess antibacterial and antiviral effect. This study aimed to search for new compounds of Pomegranate granatum that can be considered as potential hits against H. pylori. Methods: Natural compounds of PG were obtained from Dr Dukes ethno botanical database. RdxA enzyme was selected since it is an important bacterial enzyme in the reactions with the commonly used antibiotic Metronidazole. MOE software was used for preparation and docking. Filtration of compounds was done using the Lipinski rule, PAINS, ADME and PASS parameters. Results: A total of 76 compounds were obtained. Following the filtration using Lipinski rule and PAINS only 20 compounds passed with zero violations. After studying the biological activity using PASS software, four compounds namely cinnamic acid, ferulic acid, fumaric acid and flavanols showed good affect against H pylori according to their Pa. Their ADME properties also showed good pharmacokinetic properties. Conclusion: Compounds selected from PG can be useful for treatment of H. pylori infection and the obtained compounds can be further investigated using in vivo studies.

DOI

10.21608/aprh.2024.263114.1248

Keywords

Pomegranate granatum, H pylori. Computational study, RdxA enzyme

Authors

First Name

Hind

Last Name

Elnasri

MiddleName

-

Affiliation

Department of Molecular Biology and Bioinformatics, University of Bahri, PO Box10739, Khartoum, Sudan

Email

hindnasri2017@gmail.com

City

Khartoum

Orcid

-

First Name

Afra

Last Name

Al-Bykre

MiddleName

-

Affiliation

Department of Molecular Biology and Bioinformatics, University of Bahri, PO Box10739, Khartoum, Sudan

Email

aframoh2016@gmail.com

City

-

Orcid

-

Volume

8

Article Issue

2

Related Issue

47267

Issue Date

2024-04-01

Receive Date

2024-01-15

Publish Date

2024-04-01

Page Start

49

Page End

62

Print ISSN

2357-0547

Online ISSN

2357-0539

Link

https://aprh.journals.ekb.eg/article_351171.html

Detail API

https://aprh.journals.ekb.eg/service?article_code=351171

Order

2

Type

Research Article

Type Code

318

Publication Type

Journal

Publication Title

Journal of Advanced Pharmacy Research

Publication Link

https://aprh.journals.ekb.eg/

MainTitle

Evaluation of <i>Pomegranate granatum</i> Compounds’ as Potential Inhibitors of H. pylori RdxA : A Computational Approach

Details

Type

Article

Created At

23 Dec 2024