Molecular Diversity ( IF 3.9 ) Pub Date : 2021-08-31 , DOI: 10.1007/s11030-021-10301-8 Jian-Hong Qi 1 , Fang-Xu Dong 2 , Xiao-Long Wang 3, 4, 5
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Paeonol, derived from natural plants (Moutan Cortex), has a wide range of biological effects, including anti-inflammatory and antitumor effects as well as favorable effects against cardiovascular and neurodegenerative diseases. The anti-inflammatory action is the main pharmacological activity of paeonol and has the greatest clinical relevance. However, the anti-inflammatory mechanism of paeonol has not been reported in sufficient detail. We systematically analyzed the anti-inflammatory mechanism of paeonol using network pharmacological databases and platforms, including TCMSP, Swiss TargetPrediction, OMIM, DrugBank, TTD, Jevnn, STRING11.0, and Metascape. Furthermore, we used high-throughput molecular docking method to prove the results of the above analyses, providing a reference for exploring the mechanism of paeonol and developing targeted drugs.
Graphic abstract
中文翻译：
基于现代技术探索丹皮酚消炎作用靶点及信号通路
丹皮酚，源自天然植物（牡丹皮）)，具有广泛的生物学作用，包括抗炎和抗肿瘤作用以及对心血管和神经退行性疾病的有利作用。抗炎作用是丹皮酚的主要药理活性，具有最大的临床意义。然而，丹皮酚的抗炎机制尚未得到足够详细的报道。我们利用TCMSP、Swiss TargetPrediction、OMIM、DrugBank、TTD、Jevnn、STRING11.0和Metascape等网络药理学数据库和平台系统分析了丹皮酚的抗炎机制。此外，我们利用高通量分子对接方法对上述分析结果进行了验证，为探索丹皮酚的作用机制和开发靶向药物提供了参考。
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