目的 采用网络药理学与分子对接技术探讨甘草查尔酮A治疗慢性牙周炎的作用机制。方法 利用TCMSP、PubChem、SwissTarget平台筛选出甘草查尔酮A的潜在靶点，并使用Uniprot数据库进行标准化处理。然后，在Genecards、OMIM、DrugBank平台中提取与慢性牙周炎有关的靶基因，通过Venny 2.1.0平台生成甘草查尔酮A与慢性牙周炎的共同靶点。STRING数据库建立蛋白相互作用（PPI）网络，DAVID数据库进行基因本体（GO）、京都基因和基因组百科全书（KEGG）分析，构建“成分–靶点–信号通路”网络模型。采用分子对接技术对甘草查尔酮A与关键靶蛋白之间的相互作用进行验证。结果 筛选出甘草查尔酮A有96个潜在作用靶点，其中与慢性牙周炎的交集靶点有48个，涉及104条信号通路。分子对接结果显示，甘草查尔酮A与核心靶蛋白基质金属蛋白酶9（MMP9）和表皮生长因子受体（EGFR）表现出显著的结合活性。结论 基于网络药理学与分子对接技术预测了甘草查尔酮A治疗慢性牙周炎的潜在药物靶点，揭示了其可能的药物作用机制，为后续研究提供一定的理论指导。

Objective To investigate the mechanism of treating chronic periodontitis with licochalcone A using network pharmacology and molecular docking technology. Methods Targets of licochalcone A were identified using TCMSP, PubChem, and SwissTargetPrediction database, followed by standardization using UniProt database. Target genes associated with chronic periodontitis were retrieved from GeneCards, OMIM, DrugBank platform. Use the Venny 2.1.0 platform to obtain the common potential targets between licochalcone A and chronic periodontitis. PPI network was constructed via STRING database, while functional enrichment analysis (GO and KEGG) was performed using DAVID. To establish a comprehensive “component-target-pathway” network. Molecular docking simulations were conducted to validate the predicted interactions between licochalcone A and key target proteins. Results A total of 96 potential targets of licochalcone A were screened out, among which 48 were intersection targets with chronic periodontitis, involving 104 signaling pathways. The results of molecular docking showed that licochalcone A exhibited significant binding activity with core target proteins, MMP9 and EGFR. Conclusion Based on network pharmacology and molecular docking technology, the potential drug targets of licochalcone A in treatment of chronic periodontitis were predicted, revealing its possible drug mechanism of action and providing certain theoretical guidance for subsequent research.

R285

海南省自然科学基金高层次人才项目（821RC723）