Study of the Chemical Composition and Anti-Inflammatory Mechanism of Shiyiwei Golden Pill Based on UPLC-Q-TOF/MS and Network Pharmacology.

IF 4.7 2区医学 Q1 CHEMISTRY, MEDICINAL

Drug Design, Development and Therapy Pub Date : 2025-04-24 eCollection Date: 2025-01-01 DOI:10.2147/DDDT.S505880

Cong Han, Jing Chen, Chuanlin Shen, Qiuxia Liang, Ying An, Chaoyi Zhou, Kechun Liu, Qing Xia, Qiuxia He, Huazheng Zhang

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引用次数: 0

Abstract

Purpose: Shiyiwei Golden Pill (SYW) is a classic traditional prescription used to treat mKhris-pa according to the theory of Tibetan medicine. At present, SYW is widely used to treat cholecystitis in Tibetan areas. However, the chemical constituents and anti-inflammatory mechanisms are still largely undiscovered. This study aimed to investigate the chemical composition and anti-inflammatory effects of SYW, as well as its potential mechanisms.

Methods: The components of SYW were identified using ultrahigh-performance liquid chromatography with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS). The anti-inflammatory effects of SYW were determined on zebrafish and RAW264.7 cell inflammation models. Additionally, we predicted the targets and pathways of SYW to confirm its anti-inflammatory effects using network pharmacology approaches. Finally, a quantitative real-time polymerase chain reaction (qRT-PCR) was performed to validate the expression of genes associated with anti-inflammatory pathways.

Results: We identified 94 compounds in SYW, mainly alkaloids, phenols, and flavonoids. SYW inhibited inflammatory cell proliferation and migration in the three zebrafish inflammation models. In the RAW264.7 cell model, SYW suppressed the levels of NO and pro-inflammatory cytokines. In addition, network pharmacology analysis revealed that ALB, IL6, TNF, AKT1, and EGFR were identified as the potential key targets of SYW. KEGG enrichment and qRT-PCR analysis showed that PI3K/Akt/FoxO signaling pathway was involved in the anti-inflammatory effects of SYW.

Conclusion: Herein, we identified 94 chemical constituents of SYW and demonstrated that SYW exerts anti-inflammatory effects by regulating the PI3K/Akt/FoxO signaling pathway.

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基于UPLC-Q-TOF/MS和网络药理学的十一胃金丸化学成分及抗炎机制研究

目的：十益胃金丸（SYW）是一种根据藏医学理论治疗多发性骨化症的经典传统方剂。目前，SYW被广泛应用于藏区胆囊炎的治疗。然而，其化学成分和抗炎机制在很大程度上仍未被发现。本研究旨在探讨SYW的化学成分、抗炎作用及其可能的机制。方法：采用超高效液相色谱-四极杆飞行时间质谱法（UPLC-Q-TOF/MS）对SYW的成分进行鉴定。在斑马鱼和RAW264.7细胞炎症模型上测定SYW的抗炎作用。此外，我们利用网络药理学方法预测了SYW的靶点和通路，以证实其抗炎作用。最后，采用实时定量聚合酶链反应（qRT-PCR）验证与抗炎途径相关基因的表达。结果：共鉴定出94种化合物，主要为生物碱、酚类和黄酮类化合物。SYW在三种斑马鱼炎症模型中抑制炎症细胞的增殖和迁移。在RAW264.7细胞模型中，SYW抑制NO和促炎细胞因子的水平。此外，网络药理学分析发现ALB、IL6、TNF、AKT1和EGFR是SYW的潜在关键靶点。KEGG富集和qRT-PCR分析表明，PI3K/Akt/FoxO信号通路参与了SYW的抗炎作用。结论：本研究鉴定出SYW的94种化学成分，证明SYW通过调节PI3K/Akt/FoxO信号通路发挥抗炎作用。

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

Drug Design, Development and Therapy CHEMISTRY, MEDICINAL-PHARMACOLOGY & PHARMACY

CiteScore

9.00

自引率

0.00%

发文量

382

审稿时长

>12 weeks

期刊介绍： Drug Design, Development and Therapy is an international, peer-reviewed, open access journal that spans the spectrum of drug design, discovery and development through to clinical applications. The journal is characterized by the rapid reporting of high-quality original research, reviews, expert opinions, commentary and clinical studies in all therapeutic areas. Specific topics covered by the journal include: Drug target identification and validation Phenotypic screening and target deconvolution Biochemical analyses of drug targets and their pathways New methods or relevant applications in molecular/drug design and computer-aided drug discovery* Design, synthesis, and biological evaluation of novel biologically active compounds (including diagnostics or chemical probes) Structural or molecular biological studies elucidating molecular recognition processes Fragment-based drug discovery Pharmaceutical/red biotechnology Isolation, structural characterization, (bio)synthesis, bioengineering and pharmacological evaluation of natural products** Distribution, pharmacokinetics and metabolic transformations of drugs or biologically active compounds in drug development Drug delivery and formulation (design and characterization of dosage forms, release mechanisms and in vivo testing) Preclinical development studies Translational animal models Mechanisms of action and signalling pathways Toxicology Gene therapy, cell therapy and immunotherapy Personalized medicine and pharmacogenomics Clinical drug evaluation Patient safety and sustained use of medicines.