Network Pharmacology and Molecular Docking Validation to Reveal the Pharmacological Mechanisms of Kangai Injection against Colorectal Cancer.

Autor: Zheng BB; Department of General Surgery, Shaanxi Provincial People's Hospital, Xi'an, Shaanxi, China., Wang Q; Laboratory of Surgical Oncology, Peking University People's Hospital, Beijing, China., Yue Y; Department of General Surgery, Shaanxi Provincial People's Hospital, Xi'an, Shaanxi, China., Li J; National Cancer Center/Cancer Hospital, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing, China., Li XJ; Department of General Surgery, Shaanxi Provincial People's Hospital, Xi'an, Shaanxi, China., Wang X; Department of Gastroenterology, First Affiliated Hospital of Xi'an Jiaotong University, Xi'an, Shaanxi Province, China.
Jazyk: angličtina
Zdroj: BioMed research international [Biomed Res Int] 2022 Aug 21; Vol. 2022, pp. 3008842. Date of Electronic Publication: 2022 Aug 21 (Print Publication: 2022).
DOI: 10.1155/2022/3008842
Abstrakt: Background: Kangai injection is a traditional Chinese medicine (TCM) mixed by extracts from astragalus, ginseng, and kurorinone with modern technology. It is a commonly used antitumor injection in China, but the mechanism of Kangai injection in the treatment of colorectal cancer (CRC) is still unclear. The purpose of this study is to explore the mechanism of Kangai injection against CRC using network pharmacology and molecular docking technology.
Methods: Targets of Kangai injection in CRC were predicted by SwissTargetPrediction and DisGeNET databases. Gene Ontology (GO) analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) were performed by using the DAVID database. A component-disease-target gene-pathway network was constructed by Cytoscape 3.8.0 software.
Results: 114 overlapping targets of Kangai injection and CRC were used to construct a PPI network, and the top 10 hub targets of Kangai injection were rated from high to low as TP53 , VEGFA , EGFR , TNF , ESR1 , STAT3 , HSP90AA1 , HDAC1 , AR , and MMP9 . The ingredient-target-disease interactive network was constructed, which included 22 compounds and 114 overlapping targets with 161 nodes and 707 edges. Entries of enrichment analysis were obtained based on P value (<0.05), which included 19 of GO-MF, 217 of GO-BP, 8 of GO-CC, and 13 KEGG. Molecular docking analysis showed that Kangai injection strongly interacted with top 10 hub target proteins.
Conclusion: Network pharmacology intuitively showed the multicomponent, multiple targets, and multiple pathways of Kangai injection in the treatment of CRC. The molecular docking experiment verified that compounds of Kangai injection had good binding ability with top 10 hub target proteins as well.
Competing Interests: The authors have no conflicts of interest to declare.
(Copyright © 2022 Bo-Bo Zheng et al.)
Databáze: MEDLINE
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