Exploring the Mechanism of Arctium Lappa L. Leaves in the Treatment of Alzheimer's Disease Based on Chemical Profile, Network Pharmacology and Molecular Docking.
Shou-Chen MuDeng-Feng XueXue-Mei QinGuan-Hua DuYu-Zhi ZhouPublished in: Advanced biology (2023)
Alzheimer's Disease (AD) is an irreversible neurodegenerative disease, which urgently needs more effective treatment strategies. Arctium lappa L. leaf (burdock leaf) performs wide pharmacological activities, increasing evidence hinted that burdock leaves can ameliorate AD. This research aims to explore the bioactive ingredients and mechanisms of burdock leaves against AD by performing chemical profiles, network pharmacology, and molecular docking. 61 components are identified by liquid chromatography equipped with mass spectrometry. 792 targets of ingredients and 1661 AD-related genes are retrieved from public databases. Ten critical ingredients are identified from the topology analysis of the compound-target network. CytoNCA, AlzData database, and Aging Atlas database contribute to the foundation of 36 potential targets and four clinically significant targets (STAT3, RELA, MAPK8, and AR). The gene ontology (GO) analysis manifests that the included processes are close to the pathogenesis of AD. PI3K-Akt signaling pathway and AGE-RAGE signaling pathway may be important therapeutic mechanisms. Molecular docking results imply that network pharmacology results are reliable. Furthermore, the clinical meanings of core targets are also evaluated with the Gene Expression Omnibus (GEO) database. This research will provide research direction for the application of burdock leaves in the treatment of AD.
Keyphrases
- molecular docking
- pi k akt
- signaling pathway
- molecular dynamics simulations
- mass spectrometry
- liquid chromatography
- gene expression
- cell proliferation
- cell cycle arrest
- epithelial mesenchymal transition
- induced apoptosis
- healthcare
- cognitive decline
- adverse drug
- high resolution mass spectrometry
- oxidative stress
- emergency department
- high resolution
- risk assessment
- cell death
- machine learning
- copy number
- human health
- gas chromatography
- high performance liquid chromatography
- tandem mass spectrometry
- mild cognitive impairment
- simultaneous determination
- endoplasmic reticulum stress
- artificial intelligence
- deep learning
- big data
- drug induced