基于网络药理学和分子对接探讨复羽叶栾树种仁油 治疗脂肪肝的作用机制Mechanism of action of Koelreuteria bipinnata seed oil in the treatment of fatty liver based on network pharmacology and molecular docking

Abstract

为了探究复羽叶栾树种仁油活性成分可能作用于脂肪肝治疗的药效物质基础、潜在靶标及作用机制，基于网络药理学手段和分子对接，获得复羽叶栾树种仁油中6种核心有效成分花生一烯酸、棕榈酸、亚油酸、油酸、芥酸、花生酸，筛选出治疗脂肪肝相关靶点69个，预测可能作用于ALB、IGF1、PPARα、PPARγ、SRC 5个核心靶点蛋白，通过活性成分与靶点相互作用发挥治疗脂肪肝的作用。复羽叶栾树种仁油治疗脂肪肝具有多成分、多靶点、多通路的作用特点。 In order to investigate the possible pharmacological basis, potential targets and mechanism of action of the active ingredients of Koelreuteria bipinnata seed oil in the treatment of fatty liver, based on network pharmacology and molecular docking, six core active ingredients in Koelreuteria bipinnata seed oil eicosenoic acid, palmitic acid, linoleic acid, oleic acid, erucic acid and arachidic acid were obtained, and 69 targets related to the treatment of fatty liver were screened, predicting the possible action on five core target proteins ALB, IGF1, PPARα, PPARγ and SRC, and the therapeutic effect of fatty liver was exerted through the interaction between active ingredients and targets. Koelreuteria bipinnata seed oil has multi-component, multi-target and multi-pathway action characteristics for the treatment of fatty liver.

Keywords

• 复羽叶栾树种仁油；脂肪肝；网络药理学；分子对接
• koelreuteria bipinnata seed oil; fatty liver; network pharmacology; molecular docking