Department of General Surgery, Shaanxi Provincial People's Hospital, Xi'an, Shaanxi, China.
Laboratory of Surgical Oncology, Peking University People's Hospital, Beijing, China.
Biomed Res Int. 2022 Aug 21;2022:3008842. doi: 10.1155/2022/3008842. eCollection 2022.
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.
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.
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 , , , , , , , , , and . 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 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.
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.
康艾注射液是一种采用现代工艺提取黄芪、人参、苦参素等成分制成的中药制剂，是我国临床常用的抗肿瘤中药注射剂，但其治疗结直肠癌（CRC）的作用机制尚不清楚。本研究采用网络药理学和分子对接技术探讨康艾注射液治疗 CRC 的作用机制。
通过 SwissTargetPrediction 和 DisGeNET 数据库预测康艾注射液治疗 CRC 的作用靶点，利用 DAVID 数据库进行基因本体（GO）分析和京都基因与基因组百科全书（KEGG）通路分析。采用 Cytoscape 3.8.0 软件构建成分-疾病-靶点-基因-通路网络图。
筛选出康艾注射液治疗 CRC 的 114 个共有靶点，构建 PPI 网络，将康艾注射液的前 10 个关键靶点按节点度从高到低依次为、、、、、、、、。构建成分-靶点-疾病网络图，包含 22 个化合物和 114 个共有靶点，共 161 个节点，707 条边。GO-MF 有 19 个条目，GO-BP 有 217 个条目，GO-CC 有 8 个条目，KEGG 有 13 个条目，均达到了显著富集水平（ 值<0.05）。分子对接分析结果表明，康艾注射液与前 10 个关键靶点蛋白结合能力较强。
网络药理学直观展示了康艾注射液治疗 CRC 的多成分、多靶点、多通路作用特点，分子对接实验验证了康艾注射液的化合物与前 10 个关键靶点蛋白具有良好的结合能力。
