Exploration on the Mechanism of Liumo Decoction in the Treatment of Tumor Intestinal Obstruction based on Network Pharmacology Combined with Molecular Docking
ZHAO Cong,LIU Bao-qing,YANG Chengcheng
Abstract:
Objective To screen out the main active compounds of tumor intestinal obstruction by the combination of network pharmacology and molecular docking, and to predict the potential target and signal pathway of tumor intestinal obstruction in the treatment of tumor ileus, and to explore the mechanism of its treatment. Methods The chemical components and target points of six drugs in tumor intestinal obstruction were retrieved by TCMSP platform and related literature records. The related targets of tumor ileus were obtained by GeneCards database, OMIM database, DrugBank database and PharmGKB database. The R language is used to analyze the aggregation target points by go function enrichment and KEGG pathway. The active components and core targets were docking by Chem Office software, PyMOL software and auto dock software. Results 52 active compounds of traditional Chinese medicine, including beta-sitosterol, nobiletin, aloe-emodin, quercetin and naringenin were used in UniProt database to control and weight the drug target 25 and 6 530 disease targets were obtained. There were 179 common targets with tumor ileus in Venn map. The key proteins involved TP53, RB1, PRKCB, MAPK3, MYC, MAPK14 and so on. Through GO analysis, 2 425 biological processes, 92 cell components, 205 molecular functions were obtained (P<0.05). 158 signal pathways were obtained by KEGG pathway enrichment, among which the pathways mainly involved HIF-1 signaling pathway, PI3K-Akt signaling pathway and TNF signaling pathway etc. Conclusion The mechanism of tumor intestinal obstruction in the treatment of tumor ileus is explored. The active compounds of tumor intestinal obstruction are mainly used to treat tumor ileus by multi-target and multi-channel. The results can provide theoretical basis and scientific basis for the treatment of tumor ileus by traditional Chinese medicine.
