The network pharmacology integrated with pharmacokinetics to clarify the pharmacological mechanism of absorbed components from Viticis fructus extract,Journal of Ethnopharmacology

当前位置： X-MOL 学术 › J. Ethnopharmacol. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

The network pharmacology integrated with pharmacokinetics to clarify the pharmacological mechanism of absorbed components from Viticis fructus extract
Journal of Ethnopharmacology ( IF 4.8 ) Pub Date : 2021-06-15 , DOI: 10.1016/j.jep.2021.114336
Xuanhao Chen ₁ , Xiaoyan Wang ₁ , Lin Ma ₂ , Shiming Fang ₁ , Jin Li ₁ , Evans Owusu Boadi ₁ , Jun He ₁ , Xiu-Mei Gao ₁ , Yu Wang ₂ , Yan-Xu Chang ₁

Affiliation

Ethnopharmacological relevance

Viticis fructus (VF) has been widely used in alleviating the swelling and pain, owning to its pharmacologically active components including agnuside, 10-O-vanilloylaucubin, luteolin, and casticin.

Aim of the study

The pharmacokinetic profiles of the absorbed components from aqueous and ethanolic extracts of VF in rat plasma were performed, and explored the molecular mechanisms of absorbed components via network pharmacology.

Materials and methods

Ultra-performance liquid chromatography-tandem mass spectroscopy (UHPLC-MS/MS) was employed to identify the absorbed components from rat plasma. Liquid-liquid extraction with ethyl acetate was used to purify the plasma samples. Plasma pharmacokinetics parameters of the components absorbed were analyzed after oral administration of both extracts. Network pharmacology was used to predict the biological functions and potential signaling pathways of VF. The anti-cancer effects of VF extract and absorbed components have been confirmed by in vitro experiments.

Results

The method was very sensitive with lower limit of quantification (LLOQ) of 1.0, 2.5, 0.2 and 0.5 ng/mL for agnuside, 10-O-vanilloylaucubin, luteolin and casticin, respectively. With the exception of 10-O-vanilloylaucubin which was not detected in the ethanolic extract of VF, all other components were detected in both extracts in plasma. The pharmacokinetic parameters of the four components from rat plasma were significantly different between the two extracts. According to the results of network pharmacology, the absorption components of VF are enriched in 32 key pathways, and 15 pathways are related to cancer. Ultimately, the anti-cancer effects, as well as the signaling pathways of VF ethanolic extract and absorbed components were verified by in vitro experiments.

Conclusion

The optimized, sensitive and validated UHPLC-MS/MS method was successfully applied for the plasma pharmacokinetics comparison analysis of the two VF extracts. The combination of network pharmacology and pharmacokinetics provides a useful method to elucidate the biological effects and molecular mechanism of the absorbed components of VF.

中文翻译：

网络药理学结合药代动力学阐明葡萄提取物吸收成分的药理机制

民族药理学相关性

Viticis fructus ( VF ) 因其药理活性成分包括agnuside、10- O- vanilloylaucubin、木犀草素和casticin而被广泛用于缓解肿胀和疼痛。

研究目的

对大鼠血浆中VF水提取物和乙醇提取物的吸收成分进行了药代动力学分析，并通过网络药理学探索了吸收成分的分子机制。

材料和方法

采用超高效液相色谱-串联质谱 (UHPLC-MS/MS) 鉴定大鼠血浆中的吸收成分。用乙酸乙酯进行液-液萃取纯化血浆样品。两种提取物口服给药后，对吸收的成分的血浆药代动力学参数进行分析。网络药理学用于预测室颤的生物学功能和潜在的信号通路。体外实验证实了VF提取物和吸收成分的抗癌作用。

结果

该方法非常灵敏，Agnuside、10- O- vanilloylaucubin、木犀草素和蓖麻毒素的定量下限 (LLOQ) 分别为 1.0、2.5、0.2 和 0.5 ng/mL 。除了在VF的乙醇提取物中未检测到10- O-香草豆蔻甙外，在血浆中的两种提取物中均检测到所有其他成分。两种提取物的大鼠血浆中四种成分的药代动力学参数有显着差异。根据网络药理学结果，VF的吸收成分富集在32条关键通路中，其中15条通路与癌症有关。最终，VF的抗癌作用以及信号通路通过体外实验验证了乙醇提取物和吸收成分。