Phytochemical Profiling, Molecular Docking Study, and Gastroprotective Effect of Matricaria chamomilla L. Aqueous Extract in Ethanol‐Induced Gastric Ulcer in Mice
4 affiliations
- 1Laboratory of Bioengineering Higher National School of Biotechnology, Nouveau pôle universitaire Ali Mendjli Constantine Algeria
- 2Biotechnology Research Center (CRBt) Constantine Algeria
- 3CIMO, LA SusTEC, Instituto Politécnico de Bragança, Campus de Santa Apolónia Bragança Portugal
- 4Scientific and Technical Research Center on Arid Regions (CRSTRA) Campus of Mohamed Khider University Biskra Algeria
Abstract
While Matricaria chamomilla L. is renowned for its medicinal properties, most research has focused on its essential oils or organic extracts, neglecting the traditionally used aqueous preparation. This study investigated the chemical composition and the molecular interactions of phenolic compounds in chamomile aqueous extract (CAE), focusing on its unique water‐soluble components. CAE, prepared from dried chamomile flowers, was analyzed by UHPLC‐DAD‐ESI‐MS, revealing 19 phenolic constituents dominated by flavonoids and phenolic acids. In silico studies of the major compounds ‐trans‐3,5‐di‐O‐caffeoylquinic acid, myricetin‐3‐O‐glucoside, and 4‐O‐caffeoylquinic acid, showed high binding affinities (−7.5 to −10.4 kcal/mol) via hydrogen bonding with the catalytic residues of cyclooxygenase‐2, metalloproteinase‐9, and gastric H+/K+ ATPase, providing a mechanistic of analytical findings. These computational findings were supported by in vitro antioxidant and anti‐inflammatory assays and in vivo evaluation in ethanol‐induced gastric ulcer mouse models. CAE treatment provided exceptional protection (99% at 500 mg/kg) and reduced the ulcer index from 4.5 to 0.24, significantly outperforming conventional omeprazole treatment. Histopathology confirmed improved mucosal integrity and reduced tissue damage. This work represents the first study combining phytochemical profiling of chamomile aqueous extract with multi‐target molecular docking and in vivo validation of its gastro‐protective efficacy.
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BibTeX
@article{bouhadjar2026phytochemical,
title = {{Phytochemical Profiling, Molecular Docking Study, and Gastroprotective Effect of Matricaria chamomilla L. Aqueous Extract in Ethanol‐Induced Gastric Ulcer in Mice}},
author = {Meroua Bouhadjar and Dalila Naimi and Mouna Cheriet and Lillian Barros and Tiane C. Finimundy and Haroun Fadlaoui and Dounia Djabali},
journal = {Chemistry \& Biodiversity},
year = {2026},
month = oct,
doi = {10.1002/cbdv.71804},
url = {https://doi.org/10.1002/cbdv.71804},
note = {CC BY-NC-ND 4.0},
}
RIS
TY - JOUR
TI - Phytochemical Profiling, Molecular Docking Study, and Gastroprotective Effect of Matricaria chamomilla L. Aqueous Extract in Ethanol‐Induced Gastric Ulcer in Mice
AU - Meroua Bouhadjar
AU - Dalila Naimi
AU - Mouna Cheriet
AU - Lillian Barros
AU - Tiane C. Finimundy
AU - Haroun Fadlaoui
AU - Dounia Djabali
PY - 2026
DA - 2026/10/01
JO - Chemistry & Biodiversity
DO - 10.1002/cbdv.71804
UR - https://doi.org/10.1002/cbdv.71804
AB - While Matricaria chamomilla L. is renowned for its medicinal properties, most research has focused on its essential oils or organic extracts, neglecting the traditionally used aqueous preparation. This study investigated the chemical composition and the molecular interactions of phenolic compounds in chamomile aqueous extract (CAE), focusing on its unique water‐soluble components. CAE, prepared from dried chamomile flowers, was analyzed by UHPLC‐DAD‐ESI‐MS, revealing 19 phenolic constituents dominated by flavonoids and phenolic acids. In silico studies of the major compounds ‐trans‐3,5‐di‐O‐caffeoylquinic acid, myricetin‐3‐O‐glucoside, and 4‐O‐caffeoylquinic acid, showed high binding affinities (−7.5 to −10.4 kcal/mol) via hydrogen bonding with the catalytic residues of cyclooxygenase‐2, metalloproteinase‐9, and gastric H+/K+ ATPase, providing a mechanistic of analytical findings. These computational findings were supported by in vitro antioxidant and anti‐inflammatory assays and in vivo evaluation in ethanol‐induced gastric ulcer mouse models. CAE treatment provided exceptional protection (99% at 500 mg/kg) and reduced the ulcer index from 4.5 to 0.24, significantly outperforming conventional omeprazole treatment. Histopathology confirmed improved mucosal integrity and reduced tissue damage. This work represents the first study combining phytochemical profiling of chamomile aqueous extract with multi‐target molecular docking and in vivo validation of its gastro‐protective efficacy.
SN - 1612-1872
SN - 1612-1880
ER -