基于网络药理学探讨余甘子叶总黄酮抗结直肠癌的分子机制及活性成分

Molecular Mechanism and Active Ingredients of Total Flavonoids from Phyllanthus emblica Leaves Against Colorectal Cancer Based on Network Pharmacology

目的采用网络药理学方法,研究余甘子叶总黄酮(TFPL)抗结直肠癌的分子机制及活性成分。方法采用液相色谱-串联质谱法(LC-MS/MS)分析鉴定TFPL化学成分,利用ChemMapper数据库和OMIM数据库分别收集TFPL成分相关靶点和结直肠癌相关靶点,比对得到TFPL成分与结直肠癌共有靶点,通过分子对接技术预测TFPL抗结直肠癌的潜在活性成分。结果鉴定得到TFPL的12个化学成分,对应100个靶点,结直肠癌对应靶点192个,通过比对得到TFPL抗结直肠癌的潜在靶点EGFR。分子对接结果显示,化学成分Quercetin、Kaempferol与EGFR能够较好结合。结论TFPL可能通过作用于EGFR发挥抗结直肠癌作用,Quercetin和Kaempferol可能是TFPL抗结直肠癌的潜在活性成分。

Objective To explore the molecular mechanism and active components of total flavonoids from Phyllanthus emblica leaves(TFPL)against colorectal cancer based on network pharmacology method.Methods The chemical composition of TFPL were identified by LC-MS/MS analysis.The related targets of TFPL and colorectal cancer were collected by ChemMapper database and OMIM database respectively.The common targets of TFPL ingredients and colorectal cancer were obtained by comparison.The potential active components of TFPL against colorectal cancer were predicted by molecular docking technology.Results TFPL contained 12 chemical components,corresponding to 100 targets,and 192 targets corresponding to colorectal cancer.The potential target of TFPL against colorectal cancer was EGFR after comparison.Molecular docking results showed that Quercetin and Kaempferol combined with EGFR well.Conclusion TFPL may achieve anti-colorectal cancer effect by targeting EGFR.Quercetin and Kaempferol may be the potential active components of TFPL against colorectal cancer.