基于网络药理学和分子对接技术的肺结节多边形头部干预机制
Yilian Tang1,2, Xiang Pu1, Zhiliang Fan1
1Guizhou University of Traditional Chinese Medicine, Guiyang City, China.
Medicine
|June 21, 2024
概括
多边形头部 (THL) 通过调节ALB,EGFR和SRC等关键点来治疗肺结节. 这项研究揭示了THL.
科学领域:
- 草药是一种草药.
- 网络药理学 网络药理学
- 分子对接是分子对接.
- 肺结节治疗方法 肺结节治疗方法
背景情况:
- 肺结节 (PN) 是一个日益严重的临床问题.
- 多边形头部 (THL) 在治疗PN方面显示出潜力.
- 在PN干预中THL的确切机制需要阐明.
研究的目的:
- 通过网络药理学和分子对接,研究THL在治疗PN中的作用机制.
- 确定THL对PN的治疗作用中涉及的活性成分,关键标和核心途径.
- 为THL在PN治疗中的临床应用提供理论基础.
主要方法:
- 识别和选活动THL组件和PN相关的目标.
- 使用Cytoscape构建蛋白质 - 蛋白质相互作用网络和组件 - 目标 - 路径图.
- 生物信息学丰富分析 (GO和KEGG) 通过Metascape.
- 使用Maestro软件进行分子对接验证.
主要成果:
- 确定了49个THL活性成分和67个PN目标,其中10个关键目标包括ALB,EGFR和SRC.
- 分子对接证实了大多数蛋白质化合物对的强大的结合亲和关系.
- 丰富分析揭示了关键途径,如癌症,脂质代谢,雌激素信号传递和IL-17信号传递.
结论:
- THL通过多组件,多目标,多途径的协同机制对PN产生治疗作用.
- 关键的活性成分,如奎尔丁,沙利德化物和烯酸,可能会准ALB,EGFR和SRC.
- THL有可能调节癌症,脂质代谢和IL-17信号通路,用于PN干预.
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