摘要
采用网络药理学、分子对接对冬葵果-莳萝子的化学成分和油性敏感皮肤的潜在靶点、潜在通路进行预测,采用体外试验对潜在核心靶点进行验证。结果显示共筛选冬葵果-莳萝子潜在活性成分靶点379个,油性敏感皮肤相关的潜在靶点915个,交集靶点129个,主要潜在活性成分是槲皮素、山柰酚、木犀草素和杨梅素等,发挥作用的潜在核心靶点为TNF、IL1B、SRD5A1等,富集分析确定了938个GO条目和180条KEGG通路。分子对接结果显示潜在活性成分槲皮素、山柰酚、木犀草素、杨梅素与潜在核心靶点IL1B、TNF、SRD5A1均有较好的结合力。体外试验结果显示,冬葵果-莳萝子可显著降低5α-还原酶的含量,显著抑制IL-1β、TNF-α的表达。研究结果显示,冬葵果-莳萝子能通过多成分-多靶点-多途径达到改善油性敏感皮肤的作用;冬葵果-莳萝子对油性敏感皮肤的作用可能通过依赖于炎症、雄激素水平相关信号通路的调控。
Using network pharmacology and molecular docking,the chemical components of Fructus malvae-dill Seed and their potential targets and pathways for oily sensitive skin were predicted.In vitro experiments were conducted to validate the potential core targets.The results showed that a total of 379 potential active component targets of Fructus malvae-dill seed and 915 potential targets related to oily sensitive skin were screened,with 129 overlapping targets.The main potential active components included quercetin,kaempferol,luteolin,and myricetin.The potential core targets identified were TNF,IL1B,SRD5A1,etc.Through enrichment analysis,938 GO terms and 180 KEGG pathways were identified.Molecular docking results indicated that the potential active components quercetin,kaempferol,luteolin,and myricetin had strong binding affinities with the potential core targets IL1B,TNF,and SRD5A1.In vitro tests results demonstrated that Fructus malvae-dill seed significantly inhibited the levels of 5α-reductase and the expression of IL-1βand TNF-α.The study results suggested that Fructus malvae-dill seed could improve oily sensitive skin through multiple components,targets,and pathways.The effect of Fructus malvae-dill seed on oily sensitive skin may be mediated through the regulation of inflammation and androgen-related signaling pathways.
作者
郭海姣
孙萌
王晓娜
韩婷婷
刘菲
杨素珍
李静静
李晓杰
GUO Haijiao;SUN Meng;WANG Xiaona;HAN Tingting;LIU Fei;YANG Suzhen;LI Jingjing;LI Xiaojie(Shandong Freda Biotech Co.,Ltd.,Jinan 250101,Shandong,China;Shandong Mingren Freda Pharmceutical Co.,Ltd.,Jinan 250101,Shandong,China;Shandong Freda Biotechnology Co.,Ltd.,Jinan 250101,Shandong,China)
出处
《香料香精化妆品》
2025年第5期50-60,共11页
Flavour Fragrance Cosmetics
关键词
网络药理学
分子对接
冬葵果
莳萝子
油性敏感皮肤
作用机制
network pharmacology
molecular docking
Fructus malvae
dill seed
oily sensitive skin
mechanism of action
