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基于超高效液相色谱-四极杆飞行时间质谱联用技术和网络药理学探究六堡茶的潜在作用机制

Exploring the Potential Mechanism of Liupao Tea Using UPLC-Q-TOF/MS and Network Pharmacology.

作者信息

Jia Fang, Yang Qi, Yao Lihao, Liu Yunfei, Deng Jiagang, Leng Jing, Fan Lili, Hao Erwei

机构信息

School of Pharmacy, Guangxi University of Chinese Medicine, Nanning 530200, China.

Guangxi Key Laboratory of Efficacy Study on Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning 530200, China.

出版信息

Pharmaceuticals (Basel). 2025 Feb 21;18(3):294. doi: 10.3390/ph18030294.

Abstract

Gastrointestinal motility disorder (GMD) is a common condition characterized by dysfunction or degeneration of the myenteric plexus in specific segments of the gastrointestinal tract. Liupao tea (LPT) is a post-fermented tea that is rich in various secondary metabolites and has demonstrated a range of pharmacological effects, including lipid-lowering properties, antioxidant activity, and modulation of the gut microbiota. However, the underlying mechanisms by which LPT improves GMD remain poorly understood. Blood was collected after gavage of LPT extract in SD rats. The active components in the aqueous extract of LPT and its serum were analyzed using ultra-high-performance liquid chromatography quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF/MS). The targets of LPT in the treatment of GMD were predicted by network pharmacology and molecular docking. 65 compounds were identified in the water extract of LPT, including flavonoids, phenolic acids, alkaloids, and amino acids. In rats treated with LPT, 14 prototype compounds and 6 metabolites were detected in serum. Network pharmacology and molecular docking analyses revealed 298 common targets between LPT and GMD, including IL-6, AKT1, and TP53. Functional enrichment analysis suggested that LPT may improve GMD through the regulation of immune, inflammatory, and cytokine signaling pathways. Molecular docking further indicated that the primary bioactive components of LPT exhibit a strong affinity for IL-6, AKT1, and TP53. These findings provide new insights into the bioactive components, molecular targets, and mechanisms of LPT, suggesting its potential as a therapeutic strategy for gastrointestinal motility disorders.

摘要

胃肠动力障碍(GMD)是一种常见病症,其特征是胃肠道特定节段的肌间神经丛功能障碍或退化。六堡茶(LPT)是一种后发酵茶,富含多种次生代谢产物,并已显示出一系列药理作用,包括降脂特性、抗氧化活性和调节肠道微生物群。然而,六堡茶改善胃肠动力障碍的潜在机制仍知之甚少。在给SD大鼠灌胃六堡茶提取物后采集血液。使用超高效液相色谱四极杆飞行时间质谱(UPLC-Q-TOF/MS)分析六堡茶水提取物及其血清中的活性成分。通过网络药理学和分子对接预测六堡茶治疗胃肠动力障碍的靶点。在六堡茶的水提取物中鉴定出65种化合物,包括黄酮类、酚酸类、生物碱类和氨基酸类。在用六堡茶治疗的大鼠血清中检测到14种原型化合物和6种代谢产物。网络药理学和分子对接分析揭示了六堡茶和胃肠动力障碍之间的298个共同靶点,包括IL-6、AKT1和TP53。功能富集分析表明,六堡茶可能通过调节免疫、炎症和细胞因子信号通路来改善胃肠动力障碍。分子对接进一步表明,六堡茶的主要生物活性成分对IL-6、AKT1和TP53表现出很强的亲和力。这些发现为六堡茶的生物活性成分、分子靶点和作用机制提供了新的见解,表明其作为胃肠动力障碍治疗策略的潜力。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6a77/11946460/04173f41641e/pharmaceuticals-18-00294-g001.jpg

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