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EV0172
毛蕊花糖苷治疗孤独症谱系障碍的机制:基于网络药理学、分子对接及分子动力学的研究
MECHANISMS FOR THE TREATMENT OF AUTISM SPECTRUM DISORDERS WITH VERBASCOSIDE: BASED ON NETWORK PHARMACOLOGY, MOLECULAR DOCKING AND MOLECULAR DYNAMICS
报告人: Yin Li
国家: China
机构: Tianjin University, Medical School
网络药理学和分子建模分析提示,毛蕊花糖苷可能通过多靶点、多通路机制对孤独症谱系障碍发挥作用。
孤独症谱系障碍(autism spectrum disorder,ASD)的病因尚不明确,目前也没有根治性治疗方案;尽管已有研究显示毛蕊花糖苷(verbascoside,VB)对认知行为和神经炎症具有影响,但其在ASD中的功能作用尚未阐明。本研究结合网络药理学(network pharmacology)、分子对接(molecular docking)和分子动力学(molecular dynamics)模拟方法,旨在确定VB用于ASD治疗的关键生物活性成分、潜在治疗靶点及相关信号通路。研究从生物过程、细胞组分和分子功能三个方面对核心基因进行了基因本体(gene ontology,GO)富集分析,并构建了蛋白质–蛋白质相互作用(protein protein interaction,PPI)网络。分子对接分析展示了VB与核心靶点的结合模式及相关氨基酸残基,涵盖七种不同的靶蛋白;分子动力学模拟则通过均方根偏差(root mean square deviation,RMSD)随时间变化的曲线和各残基的波动曲线评估复合物的稳定性。由于图像分辨率不足,无法可靠辨认海报中富集分析、分子对接及模拟图表的数值和靶基因名称,因此未予转述。总体而言,本研究提出了VB干预ASD的多靶点、多通路机制框架,并构建了药物–靶点–疾病网络。作者指出,这些发现为进一步研究中医药所用VB的药理机制及开展临床开发工作奠定了基础,但其治疗作用仍需在未来得到验证。
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APA 7: Li, Y., & Liu, W. (2026, September 23-26). Mechanisms for the treatment of autism spectrum disorders with verbascoside: based on network pharmacology, molecular docking and molecular dynamics [E-poster]. 26th WPA World Congress of Psychiatry (WCP 2026), Stockholm, Sweden. https://cslide.ctimeetingtech.com/wcp26/attendee/eposter/file/309
Vancouver: Li Y, Liu W. Mechanisms for the treatment of autism spectrum disorders with verbascoside: based on network pharmacology, molecular docking and molecular dynamics [e-poster]. 26th WPA World Congress of Psychiatry (WCP 2026); 2026 Sep 23-26; Stockholm, Sweden. Available from: https://cslide.ctimeetingtech.com/wcp26/attendee/eposter/file/309
作者姓名和标题格式由大会系统自动生成;使用前请与原始海报核对。
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