Integration of metabolomics and network pharmacology to reveal the protective mechanism underlying Qibai Pingfei capsule on chronic obstructive pulmonary disease.
Integration of metabolomics and network pharmacology to reveal the protective mechanism underlying Qibai Pingfei capsule on chronic obstructive pulmonary disease.
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代谢组学与网络药理学结合揭示芪白平肺胶囊对慢性阻塞性肺疾病的保护机制。
DOI：
10.3389/fphar.2023.1258138
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发表时间：
2023
影响因子：
5.6
通讯作者：
中科院分区：
文献类型：
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作者：
在本研究中，我们采用代谢组学技术结合网络药理学来确定关键代谢物和枢纽基因。目的从代谢组学角度探讨芪白平肺胶囊治疗慢性阻塞性肺疾病（COPD）的作用机制。我们在属于对照组和模型组的大鼠的肺组织中鉴定了96种差异代谢物，其中47种被观察到是关键的（VIP >2，p < 0.05）。此外，QBPF处理后，16个重要的差异代谢物被逆转。利用网络药理学，我们确定了81种药物活性成分的176个核心靶点。我们对网络药理学和代谢组学的综合分析使我们能够确定一个核心靶点，即胰高血糖素-内过氧化物合酶2（PTGS 2）和谷胱甘肽代谢的核心代谢途径。分子对接结果表明，PTGS 2对富马林、山奈酚等18种化合物具有较强的结合活性。PTGS 2是铁凋亡的标志物，因此我们想探讨QBPF是否可以抑制COPD的铁凋亡。结果表明，COPD的发病机制中存在铁凋亡，芪痹平方能抑制铁凋亡的发生。结论：QBPF治疗COPD的机制可能与PTGS 2表达、谷胱甘肽代谢及铁凋亡有关。
In this study, we have employed metabolomics technology in combination with network pharmacology to ascertain the key metabolites and hub genes. The objective was to explore the pathway of Qibai Pingfei Capsule (QBPF) in treating COPD through metabolomics. We identified 96 differential metabolites in the lung tissues of rats belonging to control and model groups, out of which 47 were observed to be critical (VIP >2, p < 0.05). Furthermore, 16 important differential metabolites were reversed after QBPF treatment. Using network pharmacology, we identified 176 core targets of 81 drug-active ingredients. Our comprehensive analysis of network pharmacology and metabolomics enabled us to identify a core target, prostaglandin-endoperoxide synthase 2 (PTGS2), and a core metabolic pathway for glutathione metabolism. Finally, the result of molecular docking showed that PTGS2 had strong binding activity to 18 compounds including Fumarine and Kaempferol, etc.. PTGS2 is a marker of ferroptosis, so we wanted to explore whether QBPF could inhibit ferroptosis in COPD. The results showed that ferroptosis was involved in the pathogenesis of COPD, and QBPF could inhibit the occurrence of ferroptosis. In conclusion, the mechanism of QBPF for treating COPD may be related to PTGS2 expression, glutathione metabolism and ferroptosis.
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影响因子：
5.6
作者：
通讯作者：
--
DOI：
10.2147/copd.s340113
发表时间：
2021
影响因子：
2.8
作者：
Zhang Z;Fu C;Liu J;Sai X;Qin C;Di T;Yang Y;Wu Y;Bian T
通讯作者：
Bian T
影响因子：
5.6
作者：
Kilk K;Aug A;Ottas A;Soomets U;Altraja S;Altraja A
通讯作者：
Altraja A
影响因子：
2.8
作者：
Tang, Xin;Li, Zhenyu;Cao, Jie
通讯作者：
Cao, Jie
影响因子：
5.6
作者：
Rochette, Luc;Dogon, Geoffrey;Rigal, Eve;Zeller, Marianne;Cottin, Yves;Vergely, Catherine
通讯作者：
Vergely, Catherine