整合转录组学与分子对接预测次大风子素抗结直肠癌的多靶点机制OA
Integrating transcriptomics with molecular docking to predict the multi-target mechanism of hydnocarpin D against colorectal cancer
目的 探讨次大风子素对结直肠癌细胞的抑制作用及其潜在机制.方法 采用 CCK-8 法检测其对HCT116、HepG2 和 SGC7901细胞增殖的影响.对处理后的HCT116细胞进行RNA-seq,结合基因本体/京都基因与基因组百科全书(GO/KEGG)富集、蛋白-蛋白相互作用(PPI)网络分析筛选关键基因,并通过分子对接验证作用靶点.结果 次大风子素对3种细胞均呈浓度依赖性增殖抑制,其中 HCT116 最敏感(IC50=13.02 μmol·L-1).共鉴定2 599个差异基因,主要富集于p53、PI3K-Akt 通路及核糖体功能.分子对接显示其与KRAS、caspase-9、GSK3β 具有较强结合能力.结论 次大风子素可能通过多靶点协同调控肿瘤相关通路发挥抗结直肠癌作用,具有进一步研究价值.
Objective To investigate the inhibitory effects of hydnocarpin D on colorectal cancer cells and elucidate its potential mechanisms.Methods Cell viability of HCT116,HepG2,and SGC7901 cells was assessed using the CCK-8 assay.RNA sequencing of hydnocarpin D-treated HCT116 cells was performed to identify differentially expressed genes(DEGs),followed by GO/KEGG enrichment and protein-protein interaction(PPI)analyses.Molecular docking was conducted to evaluate the binding affinity between hydnocarpin D and candidate targets.Results Hydnocarpin D inhibited cell proliferation in a dose-dependent manner,with HCT116 cells being the most sensitive(IC50=13.02 μmol·L-1).A total of 2 599 DEGs were identified,mainly enriched in the p53 signaling pathway,PI3K-Akt pathway,and ribosome biogenesis.Docking analysis revealed stable interactions between hydnocarpin D and KRAS,caspase-9,GSK3β.Conclusion Hydnocarpin D may exert anti-colorectal cancer effects through multi-target modulation of tumor-related signaling pathways,supporting its potential as a candidate anticancer compound.
张玫倩;梁艳妮;张艺萱;徐胜;辛乔艺;孙驭;周静
陕西中医药大学基础医学院,陕西 咸阳 712046陕西中药资源产业化省部共建协同创新中心,陕西 咸阳 712083陕西中医药大学药学院,陕西 咸阳 712046陕西中医药大学药学院,陕西 咸阳 712046陕西中医药大学药学院,陕西 咸阳 712046陕西中医药大学中西医结合学院,陕西 咸阳 712046陕西中医药大学药学院,陕西 咸阳 712046
医药卫生
次大风子素结直肠癌转录组学p53 信号通路分子对接
Hydnocarpin DColorectal cancerTranscriptomicsp53 signalingMolecular docking
《药学研究》 2026 (4)
388-394,7
陕西省教育厅青年创新团队项目(No.24JP047)陕西省科技厅科技计划项目(No.2024JC-YBQN-0945)陕西省教育厅科学研究计划项目(No.23JK0405)陕西省大学生创新训练计划项目(No.S202410716057)
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