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[Molecular mechanism of ginsenoside Rg_1 against radiation enteritis: based on network pharmacology and in vitro
Yu-Guo Wang1, Yong-Qi Dou1, Zi-Qiao Yan2
1the Sixth Medical Center of PLA General Hospital Beijing 100048, China.
Abstract:
Via network pharmacology, molecular docking, and cellular experiment, this study explored and validated the potential molecular mechanism of ginsenoside Rg_1(Rg_1) against radiation enteritis. Targets of Rg_1 and radiation enteritis were retrieved from BATMAN-TCM, SwissTargetPrediction, and GeneCards. Cytoscape 3.7.2 and STRING were employed for the construction of protein-protein interaction(PPI) network for the common targets, and screening of core targets. DAVID was used for Gene Ontology(GO) term and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment to predict the possible mechanism, followed by molecular docking of Rg_1 with core targets and cellular experiment. For the cellular experiment, ~(60)Co-γ irradiation was performed for mo-deling of IEC-6 cells, which were then treated with Rg_1, protein kinase B(AKT) inhibitor LY294002, and other drugs to verify the effect and mechanism of Rg_1. The results showed that 29 potential targets of Rg_1, 4 941 disease targets, and 25 common targets were screened out. According to the PPI network, the core targets were AKT1, vascular endothelial growth factor A(VEGFA), heat shock protein 90 alpha family class A member 1(HSP90AA1), Bcl-2-like protein 1(BCL2L1), estrogen receptor 1(ESR1), etc. The common targets were mainly involved in the GO terms such as positive regulation of RNA polymerase Ⅱ promoter transcription, signal transduction, positive regulation of cell proliferation, and other biological processes. The top 10 KEGG pathways included phosphoinositide 3-kinase(PI3K)/AKT pathway, RAS pathway, mitogen-activated protein kinase(MAPK) pathway, Ras-proximate-1(RAP1) pathway, and calcium pathway, etc. Molecular docking showed that Rg_1 had high binding affinity to AKT1, VEGFA, HSP90AA1, and other core targets. Cellular experiment indicated that Rg_1 can effectively improve cell viability and survival, decrease apoptosis after irradiation, promote the expression of AKT1 and B-cell lymphoma-extra large(BCL-XL), and inhibit the expression of the pro-apoptotic protein Bcl-2-associated X protein(BAX). In conclusion, through network pharmacology, molecular docking, and cellular experiment, this study verified the ability of Rg_1 to reduce radiation enteritis injury. The mechanism was that it regulated PI3K/AKT pathway, thereby suppressing apoptosis.
Insights
Ginsenoside Rg_1 effectively protects against radiation enteritis by regulating the PI3K/AKT pathway, reducing cell apoptosis, and improving cell survival. This study validates its therapeutic potential for radiation-induced intestinal injury.
Area of Science:
- Pharmacology and Toxicology
- Molecular Biology
- Gastroenterology
Context:
- Radiation enteritis is a debilitating side effect of radiotherapy, necessitating effective therapeutic strategies.
- Ginsenoside Rg_1, a natural compound, has shown potential therapeutic benefits, but its mechanism against radiation enteritis requires elucidation.
- Network pharmacology and molecular docking are powerful tools for predicting and validating drug-target interactions and mechanisms.
Purpose:
- To explore and validate the molecular mechanism of ginsenoside Rg_1 (Rg_1) in mitigating radiation enteritis.
- To identify key molecular targets and pathways involved in Rg_1's protective effects using computational and experimental approaches.
- To verify the therapeutic efficacy of Rg_1 in a cellular model of radiation-induced intestinal injury.
Summary:
- Network pharmacology identified 25 common targets between Rg_1 and radiation enteritis, with core targets including AKT1, VEGFA, and HSP90AA1.
- Enrichment analysis revealed involvement in key pathways like PI3K/AKT and MAPK, crucial for cell survival and proliferation.
- Molecular docking confirmed high binding affinity of Rg_1 to core targets. Cellular experiments demonstrated Rg_1's ability to enhance cell viability, reduce apoptosis, and modulate key proteins (AKT1, BCL-XL, BAX) in irradiated cells.
Impact:
- This study validates ginsenoside Rg_1 as a promising agent for treating radiation enteritis.
- The findings elucidate the protective mechanism, primarily through the regulation of the PI3K/AKT pathway, offering a basis for further drug development.
- Provides a comprehensive understanding of Rg_1's molecular interactions and therapeutic potential in managing radiation-induced gastrointestinal damage.
