Phytochemical study, solvent extraction efficiency, and antioxidant and antibacterial activities of Moroccan Teucrium polium L. ssp. thymoïdes: a combined experimental and DFT study
- 1Laboratory of Organic Chemistry, Materials, Electrochemistry and Environment (LCOM2E), Faculty of Sciences Ain Chock, Hassan II University of Casablanca
- 2Laboratory of Health and Environment, Faculty of Sciences Ain Chock, Hassan II University of Casablanca
Abstract
This study investigates the bioactive compounds, antioxidant properties, and antibacterial activities of Teucrium polium L. ssp. thymoïdes, a medicinal plant from the Lamiaceae family. Using various extraction solvents (methanol, ethanol, and dichloromethane), the study identifies key phenolic compounds and flavonoids through Thin Layer Chromatography (TLC) and High-Performance Liquid Chromatography (HPLC). The extracts exhibit significant antioxidant activity, with methanol providing the highest total phenolic content (185.6 ± 5.2 mg GAE/g) and the strongest DPPH radical scavenging effect (IC50 = 45.3 ± 2.1 µg/mL). Additionally, antibacterial assays reveal strong activity against Staphylococcus aureus (inhibition zone: 18.5 ± 0.8 mm, MIC: 125 µg/mL) and Escherichia coli (15.3 ± 0.6 mm, MIC: 250 µg/mL). DFT calculations were performed to analyze the electronic properties of the identified compounds. The HOMO-LUMO energy gaps and quantum chemical descriptors support their observed antioxidant and antibacterial activities. The findings validate the plant’s traditional use and suggest its potential application in pharmaceutical and healthcare industries as a natural antioxidant and antibacterial agent. Future studies should explore seasonal and geographical variations in bioactive composition and further investigate the mechanisms behind its therapeutic effects.
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BibTeX
@article{riyad2026phytochemical,
title = {{Phytochemical study, solvent extraction efficiency, and antioxidant and antibacterial activities of Moroccan Teucrium polium L. ssp. thymoïdes: a combined experimental and DFT study}},
author = {Mariama Riyad and Fatima Ezzahra Maaghloud and Achraf Abdou and Mostafa Kabine and Mohamed Dakir},
journal = {Scientific Reports},
year = {2026},
month = jul,
doi = {10.1038/s41598-026-60859-2},
url = {https://doi.org/10.1038/s41598-026-60859-2},
note = {CC BY},
}
RIS
TY - JOUR
TI - Phytochemical study, solvent extraction efficiency, and antioxidant and antibacterial activities of Moroccan Teucrium polium L. ssp. thymoïdes: a combined experimental and DFT study
AU - Mariama Riyad
AU - Fatima Ezzahra Maaghloud
AU - Achraf Abdou
AU - Mostafa Kabine
AU - Mohamed Dakir
PY - 2026
DA - 2026/07/01
JO - Scientific Reports
DO - 10.1038/s41598-026-60859-2
UR - https://doi.org/10.1038/s41598-026-60859-2
AB - This study investigates the bioactive compounds, antioxidant properties, and antibacterial activities of Teucrium polium L. ssp. thymoïdes, a medicinal plant from the Lamiaceae family. Using various extraction solvents (methanol, ethanol, and dichloromethane), the study identifies key phenolic compounds and flavonoids through Thin Layer Chromatography (TLC) and High-Performance Liquid Chromatography (HPLC). The extracts exhibit significant antioxidant activity, with methanol providing the highest total phenolic content (185.6 ± 5.2 mg GAE/g) and the strongest DPPH radical scavenging effect (IC50 = 45.3 ± 2.1 µg/mL). Additionally, antibacterial assays reveal strong activity against Staphylococcus aureus (inhibition zone: 18.5 ± 0.8 mm, MIC: 125 µg/mL) and Escherichia coli (15.3 ± 0.6 mm, MIC: 250 µg/mL). DFT calculations were performed to analyze the electronic properties of the identified compounds. The HOMO-LUMO energy gaps and quantum chemical descriptors support their observed antioxidant and antibacterial activities. The findings validate the plant’s traditional use and suggest its potential application in pharmaceutical and healthcare industries as a natural antioxidant and antibacterial agent. Future studies should explore seasonal and geographical variations in bioactive composition and further investigate the mechanisms behind its therapeutic effects.
SN - 2045-2322
ER -