Potential Molecular Mechanism For Radix Salviae Against Optic Atrophy Based On Network Pharmacology And Molecular Docking

Purpose: As a classic Chinese medicine in my country,Radix Salviae has been widely used in clinical treatment of optic nerve atrophy.However,the pharmacological mechanism of Radix Salviae is not yet fully understood.This article aims to explore the potential mechanism of Radix Salviae in the treatment of optic atrophy through network pharmacology and molecular docking.Method: First,Sort out and screen the active ingredients and potential targets of Radix Salviae provided by the TCMSP database,and collect the disease-related targets of optic nerve atrophy through the disease-related database.Then,use Venn online software to obtain drug-disease intersection targets,complete the construction of the "disease-drug-component-target network" in Cytoscape 3.6.1 software,and import the intersection targets into the String database for protein interaction analysis.Use Cytoscape 3.6.1 Software and its plug-in to screen out the core targets.Use the David database for GO molecular function and KEGG pathway enrichment analysis.Finally,use SYBYL-X2.0 for molecular docking simulation verification.Results: A total of 58 active ingredients and 118 corresponding targets were screened out from Radix Salviae,6347 targets for diseases related to optic atrophy,and 94 Radix Salviae-optic atrophy targets.Through PPI network analysis.Through PPI network analysis,the number of targets is 32 in Hub set,47 in MCC set,54 in MCODE set,,and the intersection of the 3 data sets,and 27 cores are selected from the intersection of the targets of the 3 data sets.GO enrichment analysis and KEGG enrichment analysis identified 237 items of biological function and 119 signal pathways.The molecular docking results suggest that 41 compounds have good binding activity with 16 targets.Tanshinones,salvianolic acids,and flavonoids may be the main active ingredients in the treatment of OA,acting on key targets such as MAPK14,BCL2L1,MMP9,PPARG,RELA,MDM2,MAPK1,etc.,through HIF-1signaling pathway,JAK-STAT Signal pathways and other pathways play a therapeutic role in vasodilation,anti-inflammation,anti-oxidation,immune regulation,and neuroprotection.Conclusion: This study initially revealed the potential mechanism of Radix Salviae to treat optic atrophy through multi-target and multi-component pathways,and provided new clues and pathways for further exploring its pharmacological effects.