Molecular Mechanism for Predicting the Prevention and Treating of Alzheimer��s Disease with Fructus Broussonetiae by Basing on Network Pharmacology and Molecular Docking Method
1. Jiangxi University of Traditonal Chinese Medicine, Nanchang 330004, China; 2. Key Laboratory of Traditional Chinese Medicine Pharmacology of Jiangxi Province,Nanchang 330004, China; 3. College of Life Sciences, Jiangxi Science & Technology Normal University, Nanchang 330013, China
Abstract��OBJECTIVE To study the material foundation and potential functional mechanism of treating Alzheimer��s disease with fructus broussonetiae by basing on network pharmacology and molecular docking method.METHODS Collect DrugBank and target spots about treating Alzheimer��s disease in literatures and reports; construct a chemical component set of fructus broussonetiae through TCMSP;conduct a molecular docking experiment with software DISCOVERY STUDIO; virtually select chemical component set in fructus broussonetiae that combine with target spots of Alzheimer��s disease in fructus broussonetiae; make a relevant pathway enrichment analysis about key target spots that have been selected virtually through KEGG; finally, construct the component-target spot-pathway network of fructus broussonetiae with software Cytoscape. RESULTS Select sixty compounds from fructus broussonetiae and most of them are oil products of fructus broussonetiae, such as palmatic acid, oleic acid and 8, 11-octadecadienoic acid. Besides, there are also flavonoid products, such as luteolin and apigenin. Moreover, there are coumarin products, such as scopoletin, cumaric acid and ��-tocopherol. These active components can have strong interaction with twenty-seven potential target spots related to Alzheimer��s disease and find out four pathways related to target spots of Alzheime, involving cell apoptosis, energy metabolism, calcium signal pathway, TNF signal pathway and insulin resistance. CONCLUTION The prediction of treating Alzheimer��s disease with fructus broussonetiae may be related to its mechanisms of adjusting inflammation, oxidative stress, calcium signal pathway and TNF signal pathway. Its material foundation might include fructus broussonetiae oil, luteolin and ��-tocopherol.
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2019, Vol. 54 
