Study on active components and molecular mechanisms of Ilex Kudingcha in the prevention and treatment of esophageal squamous cell carcinoma by network pharmacology

doi:10.12092/j.issn.1009-2501.2019.08.006

Abstract

Abstract:

AIM: To investigate the main active components of Ilex Kudingcha and predict its molecular mechanism of action in the prevention and treatment of esophageal squamous cell carcinoma by network pharmacology. METHODS: The main active ingredients of Ilex Kudingcha were screened out by searching the data of all components of it in TCMSP. The protein targets of these main active ingredients were predicted by using Swiss target prediction. The Esophageal Squamous Cell Carcinoma (ESCC) related genes were analyzed by GEO Database. The topology analysis network of the interaction between the main active components of Ilex Kudingcha and the ESCC related genes was constructed by Cytoscape. Then the key targets of Ilex Kudingcha were dig out in the prevention and treatment of ESCC. The molecular mechanism of Ilex Kudingcha in the prevention and treatment of ESCC was analyzed by the the GO in STRING and the enrichment of KEGG signal pathway in DAVIDE. RESULTS:Six main active ingredients of 94 compounds of Ilex Kudingcha were screened by TCMSP model. There are Taraxerol, Mairin, beta-sitosterol, amyrin Palmitate, (-)-Catechin gallate and tetradecahydropicene-4a-carboxylic acid. The 174 protein targets of 6 main active ingredients were predicted. 392 corresponding relationships were formed between active ingredients and targets by Swiss target prediction. According to the difference significance, the top 250 differentially expressed genes of ESCC were selected in GEO database.73 key targets between active ingredients of Ilex Kudingcha and genes related to ESCC were dig out by topology analysis. The results of enrichment analysis of GO in STRING showed that the biological processes of Ilex Kudingcha on the key nodes of ESCC mainly included: Supramolecular fiber organization, cytoskeleton organization, regulation of multicellular organismal process, etc; the molecular functions mainly included: cytoskeleton protein binding, protein binding, enzyme binding, actin binding and NAD binding，etc. The results of enrichment analysis of KEGG pathway in DAVIDE showed that the signal pathways were mainly enriched in proteoglycan in cancer, cyclic guanosine protein kinase G signal pathway, oxidosome proliferator-activated receptor signaling pathway, adipocytokine signaling pathway, etc. CONCLUSION:Six main active ingredients of Ilex Kudingcha play a role in the prevention and treatment of ESCC through multiple key target genes, multiple biological processes, multiple molecular functions and multiple signaling pathways. The results indicated that the active ingredients of Ilex Kudingcha had potential efficacy in preventing and treating ESCC.

Key words: Ilex Kudingcha, key targets, esophageal squamous cell carcinoma(ESCC), network pharmacology

CLC Number:

R735.1
R96

FAN Wenbin, WANG Chunrong, CHEN Kailin, LUO Jingwen. Study on active components and molecular mechanisms of Ilex Kudingcha in the prevention and treatment of esophageal squamous cell carcinoma by network pharmacology[J]. Chinese Journal of Clinical Pharmacology and Therapeutics, 2019, 24(8): 880-888.

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