Qiu Jiahui, Xu Jinbang, Zhang Junxin, He Hanshen, Lin Jie
Fujian Maternity and Child Health Hospital, Fuzhou 350001, Fujian Province, China; Fujian Obstetrics and Gynecology Hospital, Fuzhou 350012, Fujian Province, China; Fujian Maternity and Child Health Hospital College of Clinical Medicine for Obstetrics & Gynecology and Pediatrics, Fujian Medical University, Fuzhou 350001, Fujian Province, China.
Fujian Maternity and Child Health Hospital, Fuzhou 350001, Fujian Province, China; Fujian Maternity and Child Health Hospital College of Clinical Medicine for Obstetrics & Gynecology and Pediatrics, Fujian Medical University, Fuzhou 350001, Fujian Province, China.
Int J Biol Macromol. 2025 Jun;317(Pt 2):144818. doi: 10.1016/j.ijbiomac.2025.144818. Epub 2025 May 30.
As a traditional Chinese medicine prescription, BXSD has attracted extensive attention for its potential in cancer treatment. The proliferation and metastasis of tumor cells are regulated by a variety of signaling pathways, among which AKT1 and CASP3 proteins play an important role in the occurrence and development of cancer. The aim of the study was to explore the potential of BXSD decoction in the treatment of cancer through the molecular mechanism of AKT1 and CASP3 proteins, and to reveal its mechanism in the treatment of cancer, especially cervical cancer, through the combination of network pharmacology and molecular docking analysis. We used network pharmacology to screen the chemical constituents of BXSD and its associated targets, and identified key targets by constructing protein-protein interaction (PPI) networks. On this basis, the component disease target network was constructed, and GO biological function and KEGG pathway enrichment analysis were performed. The binding ability of BXSD to AKT1 and CASP3 was confirmed by molecular docking analysis. Finally, the effects of BXSD on the proliferation, migration and invasion of cervical cancer cells were verified in vivo and in vitro. The results of network pharmacological analysis showed that several chemical components of BXSD were associated with AKT1 and CASP3, which were identified as key targets by PPI network analysis. Molecular docking results showed that BXSD was stably bound to AKT1 and CASP3. Experimental verification showed that BXSD significantly inhibited the proliferation, migration and invasion of HeLa cells, and this effect was related to the downregulation of AKT1 and CASP3. Therefore, BXSD decoction can inhibit the growth and metastasis of cancer cells by regulating the expression and function of AKT1 and CASP3.
作为一种中药方剂，补中升陷汤因其在癌症治疗中的潜力而受到广泛关注。肿瘤细胞的增殖和转移受多种信号通路调控，其中AKT1和CASP3蛋白在癌症的发生发展中起重要作用。本研究旨在通过AKT1和CASP3蛋白的分子机制探索补中升陷汤治疗癌症的潜力，并通过网络药理学和分子对接分析相结合的方法揭示其治疗癌症尤其是宫颈癌的机制。我们运用网络药理学筛选补中升陷汤的化学成分及其相关靶点，通过构建蛋白质-蛋白质相互作用（PPI）网络确定关键靶点。在此基础上构建成分-疾病-靶点网络，并进行基因本体（GO）生物学功能和京都基因与基因组百科全书（KEGG）通路富集分析。通过分子对接分析证实补中升陷汤与AKT1和CASP3的结合能力。最后，在体内和体外验证补中升陷汤对宫颈癌细胞增殖、迁移和侵袭的影响。网络药理学分析结果表明，补中升陷汤的几种化学成分与AKT1和CASP3相关，经PPI网络分析确定为关键靶点。分子对接结果显示补中升陷汤与AKT1和CASP3稳定结合。实验验证表明，补中升陷汤显著抑制HeLa细胞的增殖、迁移和侵袭，且这种作用与AKT1和CASP3的下调有关。因此，补中升陷汤可通过调节AKT1和CASP3的表达及功能来抑制癌细胞的生长和转移。
