基于网络药理学、分子对接及动物实验探讨金花茶叶提取物治疗溃疡性结肠炎的作用

doi:10.19803/j.1672-8629.20250874

摘要/Abstract

摘要： 目的通过整合网络药理学、分子对接技术及动物实验,系统探讨金花茶[Camellia petelotii (Merrill) Sealy,CPS]叶提取物治疗溃疡性结肠炎（Ulcerative Colitis,UC）的作用研究。方法运用网络药理学方法筛选CPS叶提取物活性成分及作用靶点,构建“成分-靶点-疾病”网络和蛋白互作网络,进行基因本体（Gene Ontology, GO）功能和京都基因与基因组百科全书（Kyoto Encyclopedia of Genes and Genomes, KEGG）通路富集分析。采用分子对接技术验证核心成分与核心靶点的结合能力。通过2%葡聚糖硫酸钠诱导UC小鼠模型,设正常对照组,模型组,CPS叶提取物低（2.5 g·kg^-1）、高（5 g·kg^-1）剂量组及柳氮磺吡啶阳性对照组（500 mg·kg^-1）,评估疾病活动指数（Disease Activity Index,DAI）、结肠组织病理变化。采用酶联免疫吸附测定（Enzyme-Linked Immunosorbent Assay,ELISA）检测结肠组织白介素-6 (Interleukin-6, IL-6)、肿瘤坏死因子-α (Tumor Necrosis Factor-α, TNF-α)和基质金属蛋白酶-2（Matrix Metalloproteinase-2,MMP-2）含量,聚合酶链式反应（Polymerase Chain Reaction,PCR）检测IL-6和B细胞淋巴瘤/白血病-2（B-cell lymphoma-2,BCL-2）的信使核糖核酸（Messenger RNA,mRNA）表达。结果网络药理学筛选出山柰酚、槲皮素等成分为CPS叶提取物治疗UC的核心成分,IL-6、V-akt鼠科胸腺瘤病毒癌基因同源物1（V-akt Murine Thymoma Viral Oncogene Homolog 1,AKT1）等为关键靶点,显著富集于炎症反应及细胞凋亡等生物过程。分子对接显示核心成分与核心靶点具有较强结合能力（结合能均< -5.0 kcal·mol^-1）。动物实验表明,CPS叶提取物能显著降低UC小鼠DAI评分（P<0.05）,改善结肠组织病理损伤,抑制促炎因子IL-6、TNF-α和MMP-2释放（P<0.05）,下调IL-6 mRNA表达,上调BCL-2 mRNA表达（P<0.05）。结论 CPS叶提取物通过调节IL-6、MMP-2和BCL-2,抑制炎症反应、细胞凋亡及组织重塑,从而发挥治疗UC的作用。

关键词: 金花茶叶提取物, 溃疡性结肠炎, 网络药理学, 分子对接, 炎症反应, 聚合酶链式反应, 小鼠

Abstract: Objective To explore the effect of the extract of [Camellia petelotii (Merrill) Sealy, CPS] on ulcerative colitis (UC) by combining network pharmacology, molecular docking technology and animal experiments. Methods The active components and targets of CPS were screened using the network pharmacology method before the “component-target-disease” network and protein interaction network were constructed. Gene Ontology (GO) function and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were conducted. Molecular docking technology was adopted to test the binding ability of core components to core targets. A UC mouse model was induced by 2% dextran sodium sulfate. A normal control group, model group, CPS low-and high-dose groups (2.5, 5 g·kg^-1) and sulfasalazine positive normal control group (500 mg·kg^-1) were set up to evaluate the disease activity index (DAI) and pathological changes of colon tissues. The levels of interleukin-6 (IL-6), tumor necrosis factor-α (TNF-α) and matrix metalloproteinase-2 (MMP-2) in colon tissues were detected via enzyme-linked immunosorbent assay (ELISA).The expressions of IL-6 and Messenger RNA (mRNA) of B-cell lymphoma-2 (BCL-2) were detected via polymerase chain reaction (PCR). Results Using network pharmacology, such components as kaempferol and quercetin were screened as the core components of CPS in the treatment of UC while IL-6 and v-akt murine thymoma viral oncogene homolog 1 (AKT1) were the key targets, which were significantly enriched in biological processes such as inflammatory response and apoptosis. Molecular docking showed that the core components had a strong binding ability with the core targets (binding energy< -5.0 kcal·mol^-1). Animal experiments suggested that CPS could significantly reduce the DAI score of UC mice (P<0.05), improve the pathological damage to colon tissues, inhibit the release of pro-inflammatory factors IL-6, TNF-α and MMP-2 (P<0.05), down-regulate the expression of IL-6 mRNA and up-regulate the expression of BCL-2 mRNA (P<0.05). Conclusion The CPS extract can combat ulcerative colitis by regulating IL-6, MMP-2 and BCL-2, inhibiting inflammatory response, apoptosis and tissue remodeling.

Key words: Camellia petelotii (Merrill) Sealy (CPS), Ulcerative Colitis (UC), Network Pharmacology, Molecular Docking, Inflammatory Response, Polymerase Chain Reaction (PCR), Mice

中图分类号:

R282
R965.1

莫玉焕, 裴宇盛, 张赞, 黎珂钰, 谢鹏, 赵悦, 宁玲. 基于网络药理学、分子对接及动物实验探讨金花茶叶提取物治疗溃疡性结肠炎的作用[J]. 中国药物警戒, 2026, 23(5): 527-532.

MO Yuhuan, PEI Yusheng, ZHANG Zan, LI Keyu, XIE Peng, ZHAO Yue, NING Ling. Therapeutic Effects of Camellia petelotii (Merrill) Sealy against Ulcerative Colitis: a Study Based on Network Pharmacology, Molecular Docking, and Animal Experiments[J]. Chinese Journal of Pharmacovigilance, 2026, 23(5): 527-532.

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