The Mechanism of Scutellariae Radix in Treatment of Type 2 Diabetes Based on Network Pharmacology and Molecular Docking
OBJECTIVE To analyze the main active ingredients and targets of Scutellariae Radix in the treat-ment of type 2 diabetes mellitus(T2DM)and explore its potential mechanism of multi-component,multi-target and multi-pathway by using network pharmacology and molecular docking.METHODS The chemical components of Scutellariae Radix were selected from the Traditional Chinese Medicine System Pharmacology database and analyzed platform(TCMSP),and the effective components were screened by oral bioavailability(OB),drug likeness(DL)and half-life(HL)conditions.The effective components were predicted for target points through the SwissTargetPre-diction database,and the targets of T2DM were screened from TTD,Drugbank,and DisGeNET databases.The compo-nent-target mapping was used to draw the protein-protein interaction(PPI)network of the core target points using the String database.The gene ontology(GO)and KEGG enrichment analysis of the core targets were performed using the DAVID database.The component-target-pathway network was constructed using Cytoscape 3.6.1 to explore the po-tential mechanism of Scutellariae Radix in the treatment of T2DM.The molecular docking of the active components and core targets of Scutellariae Radix were verified using SYBYL software to confirm the prediction re-sults.RESULTS 29 chemical components were screened from Scutellariae Radix,involving 26 targets for T2DM treatment;GO results showed that involved 10 biological processes,including response to hypoxia,blood pressure reg-ulation,circadian regulation of gene expression,and 10 main molecular functions,such as hemoglobin binding,drug binding,RNA polymerase Ⅱ transcription factor activity,and 10 cellular components,including intracellular mem-brane-bound organelle,rDNA heterochromatin,chromatin silencing complex.KEGG results showed that it may regu-late T2DM through AMPK,PPAR,insulin resistance,and carcinogenic effect.The molecular docking results showed that stigmasterol-PIK3CG and β-sitosterol-ABCG2 were stronger docked,and baicalein-PIK3CG,β-sitosterol-PIK3CG,baicalein-IGF1R,β-sitosterol-IGF1R,norwogonin-IGF1R were well docked.CONCLUSION Scutellariae Radix treated T2DM by multi-target and multi-channel therapy,which lays a foundation for the study of molecular mechanism.
Scutellariae RadixType 2 diabetes mellitusNetwork pharmacologyMolecular dockingMechanism of action
万方数据
维普
