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网络药理学结合亲和超滤法解析芍药甘草附子汤治疗类风湿关节炎的潜在化合物。

Network pharmacology combined with affinity ultrafiltration to elucidate the potential compounds of Shaoyao Gancao Fuzi Decoction for the treatment of rheumatoid arthritis.

机构信息

College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang Province, 310058, China; Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, Hangzhou, Zhejiang Province, 310058, China.

College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang Province, 310058, China.

出版信息

J Ethnopharmacol. 2024 Aug 10;330:118268. doi: 10.1016/j.jep.2024.118268. Epub 2024 Apr 26.

DOI:10.1016/j.jep.2024.118268
PMID:38677569
Abstract

ETHNOPHARMACOLOGICAL RELEVANCE

Shaoyao Gancao Fuzi Decoction (SGFD), has been employed for thousands of years in the treatment of rheumatoid arthritis (RA) with remarkable clinical efficacy. However, the material basis underlying the effectiveness of SGFD still remains unclear.

AIM OF THE REVIEW

This study aims to elucidate the material basis of SGFD through the application of network pharmacology and biological affinity ultrafiltration.

RESULTS

UPLC-Q-TOF-MS/MS was employed to characterize the components in SGFD, the identified 145 chemical components were mainly categorized into alkaloids, flavonoids, triterpenoids, and monoterpenoids according to the structures. Network pharmacology method was utilized to identify potential targets and signaling pathways of SGFD in the RA treatment, and the anti-inflammatory and anti-RA effects of SGFD were validated through in vivo and in vitro experiments. Moreover, as the significant node in the pharmacology network, TNF-α, a classical therapeutic target in RA, was subsequent employed to screen the interacting compounds in SGFD via affinity ultrafiltration screening method, 6 active molecules (i.e.,glycyrrhizic acid, paeoniflorin, formononetin, isoliquiritigenin, benzoyl mesaconitine, and glycyrrhetinic acid) were exhibited significant interactions. Finally, the significant anti-inflammatory and anti-TNF-α effects of these compounds were validated at the cellular level.

CONCLUSIONS

In conclusion, this study comprehensively elucidates the pharmacodynamic material basis of SGFD, offering a practical reference model for the systematic investigation of traditional Chinese medicine formulas.

摘要

民族药理学相关性

芍药甘草附子汤(SGFD)在治疗类风湿关节炎(RA)方面已有数千年的历史,具有显著的临床疗效。然而,SGFD 有效性的物质基础仍不清楚。

目的

本研究旨在通过网络药理学和生物亲和超滤技术阐明 SGFD 的物质基础。

结果

采用 UPLC-Q-TOF-MS/MS 对 SGFD 中的成分进行了表征,共鉴定出 145 种化学成分,根据结构主要分为生物碱、黄酮类、三萜类和单萜类。网络药理学方法用于识别 SGFD 在 RA 治疗中的潜在靶点和信号通路,并通过体内和体外实验验证了 SGFD 的抗炎和抗 RA 作用。此外,作为药理学网络中的重要节点,TNF-α是 RA 的经典治疗靶点,随后通过亲和超滤筛选方法筛选 SGFD 中的相互作用化合物,显示出 6 种活性分子(即甘草酸、芍药苷、芒柄花素、异甘草素、苯甲酰乌头碱和甘草次酸)具有显著的相互作用。最后,在细胞水平上验证了这些化合物的显著抗炎和抗 TNF-α作用。

结论

综上所述,本研究全面阐明了 SGFD 的药效物质基础,为中药方剂的系统研究提供了实用的参考模型。

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