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  3. Anti-Alzheimer's Potency of Rich Phenylethanoid Glycosides Extract from Marrubium vulgare L.: In Vitro and In Silico Studies

Anti-Alzheimer's Potency of Rich Phenylethanoid Glycosides Extract from Marrubium vulgare L.: In Vitro and In Silico Studies

  • Pharmaceuticals (Basel). 2024 Sep 27;17(10):1282. doi: 10.3390/ph17101282.
Mahmoud Emam 1,  Samah A El-Newary 2,  Hanan Y Aati 3,  Bin Wei 4,  Mohamed Seif 5,  Abeer Y Ibrahim 2
Affiliations

Affiliations

  • 1 Phytochemistry and Plant Systematics Department, National Research Centre, Dokki, Giza 12622, Egypt.
  • 2 Medicinal and Aromatic Plants Research Department, Pharmaceutical and Drug Industries Research Institute, National Research Centre, 33 El Bohouth St., Dokki, Giza 12622, Egypt.
  • 3 Pharmacognosy Department, College of Pharmacy, King Saud University, P.O. Box 22452, Riyadh 11495, Saudi Arabia.
  • 4 College of Pharmaceutical Science & Collaborative Innovation Center of Yangtze River Delta Region Green Pharmaceuticals, Zhejiang University of Technology, Hangzhou 310014, China.
  • 5 Food Toxicology and Contaminants Department, Food Industries and Nutrition Research Institute, National Research Centre, Dokki, Giza 12622, Egypt.
PMID: 39458923 DOI: 10.3390/ph17101282
Abstract

Background/objectives: Marrubium vulgare L. (M. vulgare), the white horehound, is well known for treating inflammation-related diseases.

Methods: In this context, we investigated the efficacy of M. vulgare ingredients in treating Alzheimer's disease using various in vitro and in silico antioxidant, anti-inflammatory, anti-cholinesterase, and anti-tyrosinase mechanisms.

Results: In our results, sixty-one components were tentatively identified using gas and liquid chromatography (GC-MS and LC-MSn) and categorized as hydrocarbons, fatty acids, and polyphenolics. The extract inhibited linoleic oxidation with an IC50 value of 114.72 µg/mL, captured iron (Fe2+) ions with an IC50 value of 164.19 µg/mL, and displayed reducing power. In addition, the extract showed radical-scavenging ability towards DPPH•, NO•, ABTS•+, and H2O2 assays compared to L-ascorbic acid and butylated hydroxytoluene. The DPPH• was scavenged by 77.62% at 100 µg/mL, and NO•, ABTS•+, and H2O2 were scavenged with IC50 values of 531.66, 117.51, and 143.10 µg/mL, respectively. M. vulgare also exhibited discriminating anti-inflammatory potency against cyclooxygenase (COX-2) with IC50 values of 619.15 µg/mL compared to celecoxib (p > 0.05). Notably, three Alzheimer's biomarkers, acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and Tyrosinase were significantly inhibited. The molecular docking study supposed that the phenylethanoid glycosides of samioside and forsythoside B inhibited AChE and Tyrosinase enzymes with low binding affinities of -9.969 and -8.804 kcal/mol, respectively. Marruboside was a proper inhibitor of COX and BChE Enzymes with a binding score of -10.218 and -10.306 kcal/mol, respectively.

Conclusions: M. vulgare extract showed significant inhibitory actions, which suggest that it could have a promising potential as an anti-Alzheimer agent.

Keywords

Marrubium vulgare; anti-cholinesterase; anti-inflammatory; anti-tyrosinase; antioxidant; molecular docking.

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