中医临床研究2025，Vol.17Issue(21)：49-56,8.DOI:10.3969/j.issn.1674-7860.2025.21.009
用计算机技术对淫羊藿补肾助阳潜在作用靶标的预测与分析
Predicting and analyzing potential action targets of kidney-nourishing and Yang-enhancing effects of Yinyanghuo by computer
摘要
Abstract
Objective:Yinyanghuo(Herbaa Epimedii)has the effects of"benefiting the essence and Qi(气),strengthening the tendons and bones,nourishing the waist and knees,strengthening the heart power",and it is a kind of plant drug with great development potential,mainly containing flavonoids,polysaccharides,alkaloids and other bioactive of tonifying kidney and strengthening Yang(阳).It is very necessary to predict and analyze the potential targets of tonifying kidney and strengthening Yang of Yinyanghuo components.Methods:The metabolic prediction software was used to predict the possible metabolites of seven components(icariin,baohuoside I,icariside I,baohuoside II,icaritin,anhydroicaritin,quercetin)of Yinyanghuo.The potential targets of active components and metabolites of Yinyanghuo were analyzed and predicted at the molecular level by reverse docking or related target identification technique plus molecular dynamics simulation technique.The therapeutic mechanism of Yinyanghuo was systematically analyzed by the Chinese medicinals network pharmacology technology,and the relevant analysis report was given according to the analysis results.Results:The structure of the 7 monomer compounds in Yinyanghuo was very similar to the structure of sophoflavescenol compounds.Sophoflavescenol has a very high inhibitory effect on PDE5 activity,which is similar to the action mechanism of sildenafil in the treatment of impotence.This is consistent with the effect of kidney-nourishing and Yang-enhancing of Yinyanghuo,indicating that PDE5A is very likely to be the target of Yinyanghuo.Conclusion:It is prospective,accurate,and practical to analyze the potential kidney-nourishing and Yang-enhancing effects of active components of Yinyanghuo in human body by computer aided drug design technology,and to analyze the potential effects of active components of Yinyanghuo on human signaling pathways by combing network pharmacology.关键词
计算机辅助药物设计技术/淫羊藿/补肾助阳/作用靶标/预测与分析Key words
Computer aided drug design technology/Yinyanghuo/Kidney-nourishing and Yang-enhancing/Action target/Prediction and analysis分类
医药卫生引用本文复制引用
何丽君,谢焕章,马黄璜,潘艳琳,郑婉玉,张增弟..用计算机技术对淫羊藿补肾助阳潜在作用靶标的预测与分析[J].中医临床研究,2025,17(21):49-56,8.基金项目
福建省卫健委中青年骨干项目(2018-ZQN-68). （2018-ZQN-68）
