基于网络药理学分析和分子对接技术研究术愈丸治疗宫颈癌的作用机制。
Research on the mechanisms of Shu Yu wan in the treatment of cervical cancer based on network pharmacology analyses and molecular docking technology.
机构信息
Department of Gynecology, The Second Hospital of Hebei Medical University, Shijiazhuang, Hebei, P.R. China.
Department of Pain, Cangzhou Hospital of Integrated TCM-WM Hebei, Cangzhou, Hebei, P.R. China.
出版信息
Nat Prod Res. 2023 Feb;37(4):646-650. doi: 10.1080/14786419.2022.2071884. Epub 2022 May 3.
Combining network pharmacology with molecular docking, our study revealed the candidate targets and mechanisms of Shu Yu Wan (SYW) for treating cervical cancer (CC). The targets associated with CC and active compounds in SYW were identified through TCGA, GeneCards and TCMSP databases. Consequently, a total of 16 active compounds in SYW and 38 common targets related to CC were predicted. Genes TP53 and CDK2 are among the hub genes in the PPI network. The results of GO and KEGG enrichment analyses suggested that SYW exerted pharmacological effects on CC by regulating cellular senescence, p53 signaling pathway, cell cycle, apoptosis, viral carcinogenesis and human papillomavirus infection (HPV) signaling pathway. Finally, molecular docking confirmed a strong binding affinity between the main active compounds of SYW with the core target proteins.
本研究采用网络药理学与分子对接相结合的方法，揭示了舒郁丸治疗宫颈癌（CC）的候选靶点和作用机制。通过 TCGA、GeneCards 和 TCMSP 数据库，确定了与 CC 相关的靶点和舒郁丸中的活性化合物。由此预测了舒郁丸中的 16 种活性化合物和 38 个与 CC 相关的共同靶点。PPI 网络中的关键基因包括 TP53 和 CDK2 基因。GO 和 KEGG 富集分析结果表明，舒郁丸通过调控细胞衰老、p53 信号通路、细胞周期、细胞凋亡、病毒致癌和人乳头瘤病毒感染（HPV）信号通路，对 CC 发挥药理作用。最后，分子对接验证了舒郁丸中主要活性化合物与核心靶蛋白之间具有较强的结合亲和力。
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