Characterization of metabolic features and potential anti-osteoporosis mechanism of pinoresinol diglucoside using metabolite profiling and network pharmacology

IF 1.8 3区化学 Q4 BIOCHEMICAL RESEARCH METHODS Rapid Communications in Mass Spectrometry Pub Date : 2024-07-23 DOI:10.1002/rcm.9872

Xin-Pu Tu, Si-Xian Wu, Meng-Yin Li, Zi-Hao Chen, Cheng-Jun Liu, Yan-Jie Ruan, Jian-Bin Zeng, Wei Shi, Jian-Hang Liu, Feng-Xiang Zhang

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Abstract

Rationale

Eucommia cortex is the core herb in traditional Chinese medicine preparations for the treatment of osteoporosis. Pinoresinol diglucoside (PDG), the quality control marker and the key pharmacodynamic component in Eucommia cortex, has attracted global attention because of its definite effects on osteoporosis. However, the in vivo metabolic characteristics of PDG and its anti-osteoporotic mechanism are still unclear, restricting its development and application.

Methods

Ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry was used to analyze the metabolic characteristics of PDG in rats, and its anti-osteoporosis targets and mechanism were predicted using network pharmacology.

Results

A total of 51 metabolites were identified or tentatively characterized in rats after oral administration of PDG (10 mg/kg/day), including 9 in plasma, 28 in urine, 13 in feces, 10 in liver, 4 in heart, 3 in spleen, 11 in kidneys, and 5 in lungs. Furan-ring opening, dimethoxylation, glucuronidation, and sulfation were the main metabolic characteristics of PDG in vivo. The potential mechanism of PDG against osteoporosis was predicted using network pharmacology. PDG and its metabolites could regulate BCL2, MARK3, ALB, and IL6, involving PI3K-Akt signaling pathway, estrogen signaling pathway, and so on.

Conclusions

This study was the first to demonstrate the metabolic characteristics of PDG in vivo and its potential anti-osteoporosis mechanism, providing the data for further pharmacological validation of PDG in the treatment of osteoporosis.

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利用代谢物分析和网络药理学研究松脂醇二葡萄糖苷的代谢特征和潜在抗骨质疏松症机制。

理论依据：杜仲皮是治疗骨质疏松症的传统中药制剂的核心药材。杜仲二葡萄糖苷（Pinoresinol diglucoside，PDG）是杜仲中的质量控制标志物和关键药效学成分，因其对骨质疏松症有确切疗效而备受全球关注。然而，PDG 的体内代谢特征及其抗骨质疏松机制尚不清楚，限制了其开发和应用：方法：采用超高效液相色谱-四极杆飞行时间质谱法分析 PDG 在大鼠体内的代谢特征，并利用网络药理学预测其抗骨质疏松的靶点和机制：结果：大鼠口服PDG（10 mg/kg/天）后，共鉴定或初步鉴定出51种代谢物，其中血浆9种、尿液28种、粪便13种、肝脏10种、心脏4种、脾脏3种、肾脏11种、肺脏5种。呋喃环开放、二甲氧基化、葡萄糖醛酸化和硫酸化是 PDG 在体内的主要代谢特征。利用网络药理学预测了PDG防治骨质疏松症的潜在机制。PDG及其代谢产物可调控BCL2、MARK3、ALB和IL6，涉及PI3K-Akt信号通路、雌激素信号通路等：该研究首次证明了PDG在体内的代谢特征及其潜在的抗骨质疏松症机制，为进一步验证PDG治疗骨质疏松症的药理作用提供了数据。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Rapid Communications in Mass Spectrometry 化学-分析化学

CiteScore

4.10

自引率

5.00%

发文量

219

审稿时长

2.6 months

期刊介绍： Rapid Communications in Mass Spectrometry is a journal whose aim is the rapid publication of original research results and ideas on all aspects of the science of gas-phase ions; it covers all the associated scientific disciplines. There is no formal limit on paper length ("rapid" is not synonymous with "brief"), but papers should be of a length that is commensurate with the importance and complexity of the results being reported. Contributions may be theoretical or practical in nature; they may deal with methods, techniques and applications, or with the interpretation of results; they may cover any area in science that depends directly on measurements made upon gaseous ions or that is associated with such measurements.