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Volume 14
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Article

In Vitro and In Silico Analysis of Differential Antibacterial Activity of Pomegranate Polyphenols Against Gram-Positive and Gram-Negative Bacteria

by
Relja Suručić
1,*,
Maja Travar
2,
Tatjana Kundaković Vasović
3,
Jelena Radović Selgrad
3,
Ljiljana Suručić
4,
Milan Momčilović
5,
Miloš P. Stojiljković
6,7 and
Ranko Škrbić
6,7,8,9,*
1
Department of Pharmacognosy, Faculty of Medicine, University of Banja Luka, 78000 Banja Luka, The Republic of Srpska, Bosnia and Herzegovina
2
Department of Microbiology, Faculty of Medicine, University of Banja Luka, 78000 Banja Luka, The Republic of Srpska, Bosnia and Herzegovina
3
Department of Pharmacognosy, Faculty of Pharmacy, University of Belgrade, 11221 Belgrade, Serbia
4
Department of Organic Chemistry, Faculty of Medicine, University of Banja Luka, 78000 Banja Luka, The Republic of Srpska, Bosnia and Herzegovina
5
Department of Chemistry, Faculty of Sciences and Mathematics, University of Niš, Višegradska 33, 18000 Niš, Serbia
6
Department of Pharmacology, Toxicology and Clinical Pharmacology, Faculty of Medicine, University of Banja Luka, 78000 Banja Luka, The Republic of Srpska, Bosnia and Herzegovina
7
Centre for Biomedical Research, Faculty of Medicine, University of Banja Luka, 78000 Banja Luka, The Republic of Srpska, Bosnia and Herzegovina
8
Academy of Science and Arts of the Republic of Srpska, 78000 Banja Luka, The Republic of Srpska, Bosnia and Herzegovina
9
Department of Pathologic Physiology, I.M. Sechenov First Moscow State Medical University, 119435 Moscow, Russia
*
Authors to whom correspondence should be addressed.
Antibiotics 2025, 14(9), 912; https://doi.org/10.3390/antibiotics14090912
Submission received: 9 June 2025 / Revised: 3 September 2025 / Accepted: 4 September 2025 / Published: 10 September 2025
(This article belongs to the Special Issue Bioactive Natural Products in Antimicrobial Resistance Management)
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Abstract

Background/Objectives: This study investigates the antimicrobial properties of pomegranate peel extract (PoPEx) and its major polyphenolic constituents against Gram-positive and Gram-negative bacteria, employing six clinical isolates of Staphylococcus aureus and five isolates of Escherichia coli. The study further aims to elucidate mechanisms of action through molecular docking and transport studies. Methods: Chemical composition was analyzed using liquid chromatography–mass spectrometry (LC–MS). Antimicrobial activity was determined by the broth microdilution method. Molecular docking was performed with the AutoDock Vina algorithm, and transport studies through porin channels were carried out using Caver software. Results: PoPEx showed stronger activity against Gram-positive (MICs 15.62–500.00 μg/mL) than Gram-negative bacteria (MICs 125.00–500.00 μg/mL). Punicalagin was most active against S. aureus, while gallic acid was most effective against E. coli. Docking revealed high affinities of punicalagin and punicalin, whereas transport studies highlighted the advantage of smaller phenolics like gallic acid in crossing porins. Conclusions: Larger tannins exhibited strong target binding but limited porin permeability, reducing efficacy in Gram-negative bacteria. These findings provide insights into structure–activity relationships of pomegranate polyphenols and support their potential as natural antimicrobial agents.
Keywords: pomegranate peel extract; polyphenols; antimicrobial activity; molecular docking; Gram-positive and Gram-negative bacteria; porin channel transport pomegranate peel extract; polyphenols; antimicrobial activity; molecular docking; Gram-positive and Gram-negative bacteria; porin channel transport

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MDPI and ACS Style

Suručić, R.; Travar, M.; Kundaković Vasović, T.; Radović Selgrad, J.; Suručić, L.; Momčilović, M.; Stojiljković, M.P.; Škrbić, R. In Vitro and In Silico Analysis of Differential Antibacterial Activity of Pomegranate Polyphenols Against Gram-Positive and Gram-Negative Bacteria. Antibiotics 2025, 14, 912. https://doi.org/10.3390/antibiotics14090912

AMA Style

Suručić R, Travar M, Kundaković Vasović T, Radović Selgrad J, Suručić L, Momčilović M, Stojiljković MP, Škrbić R. In Vitro and In Silico Analysis of Differential Antibacterial Activity of Pomegranate Polyphenols Against Gram-Positive and Gram-Negative Bacteria. Antibiotics. 2025; 14(9):912. https://doi.org/10.3390/antibiotics14090912

Chicago/Turabian Style

Suručić, Relja, Maja Travar, Tatjana Kundaković Vasović, Jelena Radović Selgrad, Ljiljana Suručić, Milan Momčilović, Miloš P. Stojiljković, and Ranko Škrbić. 2025. "In Vitro and In Silico Analysis of Differential Antibacterial Activity of Pomegranate Polyphenols Against Gram-Positive and Gram-Negative Bacteria" Antibiotics 14, no. 9: 912. https://doi.org/10.3390/antibiotics14090912

APA Style

Suručić, R., Travar, M., Kundaković Vasović, T., Radović Selgrad, J., Suručić, L., Momčilović, M., Stojiljković, M. P., & Škrbić, R. (2025). In Vitro and In Silico Analysis of Differential Antibacterial Activity of Pomegranate Polyphenols Against Gram-Positive and Gram-Negative Bacteria. Antibiotics, 14(9), 912. https://doi.org/10.3390/antibiotics14090912

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