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基于网络药理学和分子对接的中西医结合治疗高血压的血液成分分析及靶点预测

Analysis of Blood Components and Target Prediction for the Combined Use of Compound and Western Medicine in Antihypertensive Therapy Based on Network Pharmacology and Molecular Docking.

作者信息

Wu Renzhao, Wang Jie, Zhou Huifang, Xue Xiaomin, Tong Cheng, Zhao Lisha, Wu Yue, Mei Xiyu, Guo Zhongxiu, Xi Caicai

机构信息

School of Basic Medical Sciences, Zhejiang Chinese Medical University, Hangzhou, People's Republic of China.

Institute of Basic Medicine, Zhejiang Academy of Traditional Chinese Medicine, Hangzhou, People's Republic of China.

出版信息

Drug Des Devel Ther. 2025 Aug 12;19:6965-6989. doi: 10.2147/DDDT.S522471. eCollection 2025.

Abstract

AIM OF THE STUDY

To investigate the primary monomer components and the associated mechanisms of action of DOC in exerting antihypertensive effects with Western medicine.

MATERIALS AND METHODS

In this study, UPLC-Q-TOF/MS technology was used to analyze the blood components of DOC and its interaction with Western medicine. The antihypertensive effects of serum monomer components were also evaluated. Blood pressure measurements for experimental animals were recorded before administration, at three hours and twenty-four hours after the first administration, as well as the same time of the last administration of the treatment cycle. Meanwhile, the antihypertensive mechanism was explored through the integration of network pharmacology and molecular docking technology.

RESULTS

Blood component analyses revealed the identification of five compounds in the serum: Kaempferide, Rutin, Syringaldehyde, Paeoniflorin, and Hyperoside. In terms of serum drug concentrations, Irbesartan and Amlodipine concentrations were multiplied by 1.36 and 0.56, respectively, following the combination therapy of Chinese and Western medicine compared with the Western medicine alone group. The concentrations of Paeoniflorin, Kaempferin, and Syringaldehyde in the combination group were significantly higher than those observed in the DOC group. The results from pharmacodynamic experiments indicated that the antihypertensive effect achieved through the combined application of Chinese and Western medicine on SHRs was superior to that resulting from the dual administration of two types of Western medicines alone.

CONCLUSION

The combination of DOC with two Western medications has been shown to significantly enhance antihypertensive effects in SHRs. Furthermore, five major monomers present in the serum of experimental rats post-treatment exhibit notable antihypertensive properties.

摘要

研究目的

研究杜仲叶提取物(DOC)与西药联合发挥降压作用的主要单体成分及其相关作用机制。

材料与方法

本研究采用超高效液相色谱-四极杆飞行时间质谱联用(UPLC-Q-TOF/MS)技术分析DOC的血液成分及其与西药的相互作用。还评估了血清单体成分的降压作用。记录实验动物给药前、首次给药后3小时和24小时以及治疗周期最后一次给药同一时间的血压测量值。同时,通过网络药理学和分子对接技术相结合来探索降压机制。

结果

血液成分分析显示血清中鉴定出5种化合物:山柰酚、芦丁、丁香醛、芍药苷和金丝桃苷。在血清药物浓度方面,与单用西药组相比,中西医结合治疗后厄贝沙坦和氨氯地平浓度分别增加了1.36倍和0.56倍。联合组中芍药苷、山柰素和丁香醛的浓度显著高于杜仲叶提取物组。药效学实验结果表明,中西医结合对自发性高血压大鼠(SHRs)的降压效果优于两种西药单用。

结论

杜仲叶提取物与两种西药联合使用已被证明能显著增强对自发性高血压大鼠的降压作用。此外,治疗后实验大鼠血清中存在的五种主要单体具有显著的降压特性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7cec/12357559/b88bbeac01c5/DDDT-19-6965-g0001.jpg

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