He Tian-Mu, Liu Jing-Xian, Duan Can-Can, Li Xiao-Fei, Zhang Jian-Yong
Basic Medicine School, Zunyi Medical University, Zunyi, China.
School of Pharmacy, Zunyi Medical University, Zunyi, China.
Evid Based Complement Alternat Med. 2021 May 4;2021:6653460. doi: 10.1155/2021/6653460. eCollection 2021.
Compound banmao capsule (CBC), a well-known traditional Chinese medical material, is known to inhibit various tumors. However, its material basis and pharmacological mechanisms remain to be elucidated. This study aimed to investigate the effective material basis and mechanisms of action of CBC against tumors.
Active compounds of CBC were identified using public database and reports to build a network. The corresponding targets of active compounds were retrieved from online databases, and the antitumor targets were identified by GeneCards database. The antitumor hub targets were generated via protein-protein interaction analysis using String, and key compounds and targets from the integrative network were detected by molecular docking and ADMET. Top targets in hepatocellular carcinoma were confirmed by quantitative real-time PCR (qPCR). Finally, the multivariate biological network was built to identify the integrating mechanisms of action of CBC against tumor cells.
A total of 128 compounds and 436 targets of CBC were identified successfully. Based on the generated multivariate biological network analysis, 25 key compounds, nine hub targets, and two pathways were further explored. Effective material bases of cantharidin, baicalein, scutellarin, sesamin, and quercetin were verified by integrative network analysis. PTGS2, ESR1, and TP53 were identified as hub targets via multivariate biological network analysis and confirmed using qPCR. Furthermore, VEGF and estrogen signaling pathways seem to play a role in the antitumor activity of CBC. Thus, breast cancer may be a potential clinical indication of CBC.
This study successfully identified the material basis of CBC and its synergistic mechanisms of action against tumor cells.
复方斑蝥胶囊（CBC）是一种著名的中药材，已知其可抑制多种肿瘤。然而，其物质基础和药理机制仍有待阐明。本研究旨在探讨CBC抗肿瘤的有效物质基础及作用机制。
利用公共数据库和报告鉴定CBC的活性成分以构建网络。从在线数据库检索活性成分的相应靶点，并通过GeneCards数据库鉴定抗肿瘤靶点。使用String通过蛋白质-蛋白质相互作用分析生成抗肿瘤核心靶点，并通过分子对接和ADMET检测整合网络中的关键化合物和靶点。通过定量实时PCR（qPCR）确认肝细胞癌中的顶级靶点。最后，构建多变量生物网络以确定CBC对肿瘤细胞的综合作用机制。
成功鉴定出CBC的128种化合物和436个靶点。基于生成的多变量生物网络分析，进一步探索了25种关键化合物、9个核心靶点和两条通路。通过整合网络分析验证了斑蝥素、黄芩素、野黄芩苷、芝麻素和槲皮素的有效物质基础。通过多变量生物网络分析确定PTGS2、ESR1和TP53为核心靶点，并使用qPCR进行了确认。此外，VEGF和雌激素信号通路似乎在CBC的抗肿瘤活性中发挥作用。因此，乳腺癌可能是CBC的潜在临床适应症。
本研究成功鉴定了CBC的物质基础及其对肿瘤细胞的协同作用机制。
