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

• Main Authors: Mahmoud Emam (Author), Samah A. El-Newary (Author), Hanan Y. Aati (Author), Bin Wei (Author), Mohamed Seif (Author), Abeer Y. Ibrahim (Author)
• Format: Book
• Published: MDPI AG, 2024-09-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Summary

Background/Objectives: <i>Marrubium vulgare</i> L. (<i>M</i>. <i>vulgare</i>), the white horehound, is well known for treating inflammation-related diseases. Methods: In this context, we investigated the efficacy of <i>M. vulgare</i> 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. <i>M. vulgare</i> also exhibited discriminating anti-inflammatory potency against cyclooxygenase (COX-2) with IC₅₀ values of 619.15 µg/mL compared to celecoxib (<i>p</i> > 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: <i>M. vulgare</i> extract showed significant inhibitory actions, which suggest that it could have a promising potential as an anti-Alzheimer agent.

Item Description

10.3390/ph17101282
1424-8247