Document Type : Original Article
Authors
1
National Research Centre ,Cairo, Egypt, Pharmacognosy department
2
Ain Shams University, EGYPT
3
Pharmacognosy Department, Pharmaceutical Science Division, National Research Centre,
4
Pharmacognosy dept, Faculty of Pharmacy, Ain Shams University, Cairo, Egypt
5
Pharmacognosy Department, Faculty of Pharmacy, Ain Shams University. Cario, Egypt
6
national research centre
7
Department of pharmacognosy, Faculty of pharmacy, Ain Shams University, Cairo
8
Natural and Microbial chemistry Department , National Research Center (NRC), Egypt
9
Pharmacognosy Department, Pharmaceutical and Drug Industries Research Division, National Research Centre.
Abstract
Background: The phytochemical diversity and neuroprotective potential of S. aquifolium and G. rugosa remain insufficiently characterized. This study aimed to investigate the bioactive constituents of their methanolic extracts and evaluate their relevance in Alzheimer’s disease (AD) therapy through integrated phytochemical and computational analyses.
Methods and Results: HPLC and LC–MS/MS profiling revealed a total of 44 metabolites in S. aquifolium, including 16 flavonoids, 12 phenolic acids, 2 lignans, 2 fatty acids, 1 anthocyanin, and 11 compounds belonging to terpenoids, sterols, and alkaloids. In G. rugosa, 47 compounds were identified, comprising 16 flavonoids, 4 phenolic acids, 2 lignans, 5 fatty acids, 3 anthocyanins, 3 amino acids, 2 chlorophyll derivatives, and 12 metabolites mainly classified as terpenoids, sterols, and alkaloids. Notably, 3,7-dimethylquercetin was isolated from S. aquifolium, while sativanone and 3-sinapoylquinic acid were isolated from G. rugosa. Both extracts exhibited significant modulatory effects on AD-related pathological condition, including amyloid aggregation, oxidative stress, neuroinflammatory mediators, and neurotransmitter imbalances. Histopathological examination of the hippocampus confirmed these biochemical findings. Furthermore, molecular docking and dynamic simulation studies demonstrated strong and stable interactions between 3-sinapoylquinic acid, sativanone, and key AD-related molecular targets, supported by favorable binding affinities and hydrogen bonding patterns.
Conclusion: The results highlight S. aquifolium and G. rugosa as promising sources of neuroactive metabolites with potential utility in Alzheimer’s disease intervention. These findings provide a molecular basis for the future development of marine-derived natural therapeutics targeting neurodegenerative disorders.
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