Molecular mechanism of the anti-inflammatory effect of Rubus lamberianus Ser leaves based on network pharmacology and molecular docking
The aim of this study is to reveal the potential action mechanism of the anti-inflammatory effect of Ru-bus lamberianus Ser leaves by using network pharmacology and molecular docking technology.The anti-inflammato-ry targets associated with Rubus lamberianus Ser leaves were screened and identified through the network pharmacol-ogy database,and protein-protein interaction network(PPI),gene ontology(GO)enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway analysis were performed.Meanwhile,molecular docking simulation of the key targets was carried out using Autodock software.Thirty active ingredients were identified in Rubus lamberianus Ser leaves,involving 493 potential targets and 2004 disease-related targets,of which a total of 131 core targets were directly involved in anti-inflammatory therapy,including IL-6,TNF-α,IL-1β,ALB,AKT1,EGFR,SRC,TP53,ATAT3,PTGS2,etc.GO functional enrichment and KEGG pathway analysis indicated that the anti-inflammatory effect of Rubus lamberianus Ser leaves might be closely related to 170 biological pathways,inclu-ding PI3K-AKT signaling pathway,MAPK signaling pathway,and cAMP signaling pathway.Molecular docking ex-periments confirmed that these main active ingredients have good binding affinity with the corresponding target pro-teins.In conclusion,Rubus lamberianus Ser leaves may exert anti-inflammatory effect through multiple components,targets,and signaling pathways.This study has provided experimental basis and theoretical reference for the in-depth study on the anti-inflammatory mechanism of Rubus lamberianus Ser leaves and its active components.
Rubus lamberianus Ser leavesnetwork pharmacologymolecular dockinganti-inflammatorymolecu-lar mechanism
NETL
NSTL
万方数据
