基于网络药理学探讨芒果叶干预肌肉减少症的活性成分和分子机制

Study on active ingredients and molecular mechanisms of mango leaves in treatment of sarcopenia on network pharmacology

采用网络药理学和分子对接方法预测芒果叶活性成分及干预肌肉减少症的分子机制。芒果叶活性成分靶点来自中药系统药理学数据库和分析平台(TCMSP)数据库,肌肉减少症靶点来自GeneCards、DisGeNET数据库。蛋白相互作用(PPI)网络由Cytoscape生成,通过拓扑分析确定核心靶点。将核心靶点导入DAVID平台,用于GO和KEGG分析,应用Mcule在线平台进行分子对接。最终筛选出25个主要成分,确定7个核心靶点。关键通路涉及乙型肝炎、白细胞介素17等信号通路。分子对接结果表明芒果叶活性成分中槲皮素与丝氨酸/苏氨酸蛋白激酶1、基质金属蛋白酶9、肿瘤抑制基因P53及小窝蛋白-1均具有较好结合能力。应用网络药理学和分子对接方法分析预测可知芒果叶具有通过调节细胞凋亡和抗炎来抑制肌减少的潜力,为进一步药理试验和药物开发明确方向。

This study investigated possible mechanisms for sarcopenia treatment from mango leaves by using network pharmacology.Potential therapeutic targets of mango leaves were derived from TCMSP database,while targets for sarcopenia were derived from the GeneCards DisGeNET database.The PPI networks were generated by Cytoscape and core targets were identified through topological analysis.To identify potential targeting pathways,core targets were further introduced into the DAVID platform for GO and KEGG analyses.Finally,a total of 25 main components were screened and seven core targets were identified.Key pathways involved in hepatitis B,interleukin-17,and other signaling pathways and 25 main components were selected.Seven core targets were eventually identified,which were identified as potential therapeutic targets.Molecular docking results showed that quercetin had good binding ability with serine/threonine protein kinase-1,matrix metalloproteinase-9,tumor suppressor gene P53,and caveolin-1.Mango leaves had the potential to treat sarcopenia by regulating apoptosis and anti-inflammatory effects.This study had laid the foundation for further drug development and pharmacological experiments to treat sarcopenia.