Analysis on Mechanism of Treating Different Diseases with the Same Therapy via Huanglian Jiedu Decoction for Alzheimer's Disease and Epilepsy Based on Network Pharmacology and Molecular Docking Technology
Abstract: Objective: To analyze the mechanism of Huanglian Jiedu Decoction in treating Alzheimer's disease (AD) and Epilepsy (EP) using network pharmacology and molecular docking technology. Methods: Active ingredients and corresponding targets of Huanglian Jiedu Decoction were predicted from TCMSP,BATMAN,ETCM, HERB, SYMMAP, and TCMID; disease targets for AD and EP were retrieved from GeneCards, CTD, and OpenTargets; overlapping targets were screened via STRING and Cytoscape and received visual analysis. GO and KEGG enrichment analyses were performed using R Language to construct "active ingredient-overlapping target- pathway" network;molecular docking was verified using AutoDock Tools. Results:A total of 132 active ingredients, 1 439 drug targets, 229 disease targets related to AD and EP, and 152 overlapping targets were identified. Network pharmacology screening revealed five primary active ingredients: quercetin, berberine, wogonin, baicalein, and baicalin. Core targets were TP53, JUN, AKT1, IL-6, and TNF, etc. GO function enrichment analysis revealed 2 231 BP,85 CC and 147 MF terms;KEGG identified 192 pathways,including TNF,lipids and advanced glycation end products and their receptors (AGE-RAGE) in atherosclerosis and diabetic complications;the results of molecular docking showed that the binding energy of the main active ingredients and the core target molecules was lower than -5.0 kcal/mol,indicating strong binding affinity. Conclusion:Through quercetin,berberine,wogonin,baicalein, and baicalin,Huanglian Jiedu Decoction can act on targets such as TP53,JUN,AKT1,IL-6,and TNF,regulate the pathways of AGE-RAGE,TNF,and lipid and atherosclerosis in diabetic complications,so as to play the role of treating AD and EP with the same therapy.