Targeting Helicobacter pylori enzymes using Viscum album L. extract: in silico molecular docking and in vitro study

<i>Viscum album</i> L. (mistletoe) is a hemiparasitic plant known for its wide range of bioactive compounds, including phenolics, flavonoids, and lectins, which contribute to its diverse pharmacological properties. In the present study, we focused on identifying and quantifying the phenolic compounds present in <i>V. album</i> L. leaf extracts and evaluating their potential as inhibitors of key <i>Helicobacter pylori</i> enzymes through both <i>in silico</i> and <i>in vitro</i> approaches. Using molecular docking, we assessed the binding affinity and stability of selected mistletoe's phytochemicals with specific <i>H. pylori</i> targets, including peptide deformylase, shikimate pathway enzymes, and urease. Additionally, to complement the computational findings, we conducted an <i>in vitro</i> assay to evaluate the anti-urease activity of the crude <i>V. album</i> L. extract against the urease activity of <i>Proteus mirabilis</i>. The extract demonstrated significant inhibitory activity, indicating its potential as a natural urease inhibitor at a concentration of 0.0125 mg/mL, leading to a marked reduction in urease-mediated crystal formation in artificial urine. Furthermore, the extract exhibited broad-spectrum anti virulence effects by suppressing biofilm formation in <i>Staphylococcus aureus</i> and <i>Escherichia coli</i>, and inhibiting protease activity in <i>S. aureus</i> and <i>Pseudomonas aeruginosa</i>. Together, these findings highlight <i>V. album</i> phenolics as promising dual-action natural inhibitors that not only target essential metabolic enzymes but also attenuate virulence factors critical for pathogenesis. This integrated strategy positions <i>V. album</i> as a strong candidate for the development of plant-based therapeutics against multidrug-resistant pathogens with possible applications in the treatment of <i>H. pylori</i>-related gastrointestinal disorders.

Authors

Institutions

Publication Details

Journal
Frontiers in Cellular and Infection Microbiology
Published
2026-01-12
DOI
https://doi.org/10.3389/fcimb.2025.1690969
Primary Topic
Microbial Applications in Construction Materials
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Targeting Helicobacter pylori enzymes using Viscum album L. extract: in silico molecular docking and in vitro study

Simona Ioana Vicaş, Noura M. Seleem, Kamel Metwally, Ioana Alexandra Cardos et al.
Frontiers in Cellular and Infection Microbiology
Microbial Applications in Construction Materials
article

Targeting Helicobacter pylori enzymes using Viscum album L. extract: in silico molecular docking and in vitro study

Simona Ioana Vicaş, Noura M. Seleem, Kamel Metwally, Ioana Alexandra Cardos, Simona Daniela Cavalu, Galal Yahya, Moataz A. Shaldam, Rasha A. Mosbah, Catalina Danila
article en

Abstract

<i>Viscum album</i> L. (mistletoe) is a hemiparasitic plant known for its wide range of bioactive compounds, including phenolics, flavonoids, and lectins, which contribute to its diverse pharmacological properties. In the present study, we focused on identifying and quantifying the phenolic compounds present in <i>V. album</i> L. leaf extracts and evaluating their potential as inhibitors of key <i>Helicobacter pylori</i> enzymes through both <i>in silico</i> and <i>in vitro</i> approaches. Using molecular docking, we assessed the binding affinity and stability of selected mistletoe's phytochemicals with specific <i>H. pylori</i> targets, including peptide deformylase, shikimate pathway enzymes, and urease. Additionally, to complement the computational findings, we conducted an <i>in vitro</i> assay to evaluate the anti-urease activity of the crude <i>V. album</i> L. extract against the urease activity of <i>Proteus mirabilis</i>. The extract demonstrated significant inhibitory activity, indicating its potential as a natural urease inhibitor at a concentration of 0.0125 mg/mL, leading to a marked reduction in urease-mediated crystal formation in artificial urine. Furthermore, the extract exhibited broad-spectrum anti virulence effects by suppressing biofilm formation in <i>Staphylococcus aureus</i> and <i>Escherichia coli</i>, and inhibiting protease activity in <i>S. aureus</i> and <i>Pseudomonas aeruginosa</i>. Together, these findings highlight <i>V. album</i> phenolics as promising dual-action natural inhibitors that not only target essential metabolic enzymes but also attenuate virulence factors critical for pathogenesis. This integrated strategy positions <i>V. album</i> as a strong candidate for the development of plant-based therapeutics against multidrug-resistant pathogens with possible applications in the treatment of <i>H. pylori</i>-related gastrointestinal disorders.

Frontiers in Cellular and Infection MicrobiologyVol. 15
Kafrelsheikh University (EG), University of Oradea (RO), Zagazig University (EG), Military Medical Academy (EG), Institut de Biologia Molecular de Barcelona (ES), University of Tabuk (SA)
Openalex Percentile: Top 92%
Microbial Applications in Construction Materials
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.