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秃叶黄檗果实祛痰止咳物质基础的初步研究
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| 篇名： | 秃叶黄檗果实祛痰止咳物质基础的初步研究 |
| TITLE： | Preliminary study on the material basis for expectorant and cough relief effects of the fruits of Phellodendron chinense var. glabriusulum Schneid. |
| 摘要： | 目的 探究秃叶黄檗果实祛痰止咳的物质基础和作用机制。方法通过氨水引咳和药物祛痰小鼠实验研究秃叶黄檗果实挥发油和水煎液的祛痰、止咳作用；利用气相色谱-质谱和超高效液相色谱-质谱联用技术对秃叶黄檗果实挥发油和非挥发性成分进行鉴定分析；利用网络药理学方法对其活性成分筛选、祛痰止咳的核心靶点获取以及作用通路分析进行研究。结果秃叶黄檗果实的挥发油（0.8、0.2g/kg，以挥发油量计）和水煎液（12、3g/kg，以生药量计）均具有明显的祛痰、止咳作用，并呈明显的剂量依赖趋势。从药材中共鉴定出38个挥发油成分，其中α-蒎烯、月桂烯、石竹烯、germacreneD、isospathulenol等8个成分的相对百分含量＞1%；共鉴定出非挥发性成分69个，主要包括酚酸类化合物、生物碱类化合物、黄酮类化合物等。从所鉴定的成分中共筛选出了13个活性成分，包括α-蒎烯、月桂烯、绿原酸、木犀草素、小檗碱等；与疾病的交集靶点共55个，核心作用靶点为肿瘤坏死因子（TNF）、表皮生长因子受体（EGFR）、血管内皮生长因子A（VEGFA）、丝氨酸/苏氨酸蛋白激酶（AKT1）、Toll样受体4（TLR4）；分子对接结果表明，活性成分与核心靶点间均有较好的结合能力；GO功能分析发现作用靶点显著富集于影响脂多糖的反应、肽基丝氨酸磷酸化的正向调节、一氧化氮生物合成过程的积极调节等生物过程；KEGG通路富集分析发现作用靶点显著富集于癌症、非小细胞肺癌、癌症中的蛋白聚糖等信号通路。结论秃叶黄檗果实有明显的祛痰止咳作用，其物质基础可能为α-蒎烯、月桂烯、绿原酸、木犀草素、小檗碱等成分，且主要作用于TNF、EGFR、VEGFA、AKT1、TLR4等靶点及其显著富集的信号通路。 |
| ABSTRACT： | OBJECTIVE To explore the material basis and mechanism of expectorant and cough relief effects of the fruits of Phellodendron chinense var. glabriusulum Schneid. METHODS The expectorant and cough relief effects of volatile oil and water decoction of the fruits of P. chinense var. glabriusulum Schneid. were studied by ammonia water cough induction and drug expectorant model mice experiments； GC-MS and UPLC-MS technologies were used to identify its volatile oils and non-volatile components of the fruits of P. chinense var. glabriusulum Schneid. The active ingredients， core targets and pathways of expectoration and cough relief were analyzed by network pharmacology. RESULTS The volatile oil （0.8， 0.2 g/kg， calculated by volatile oil） and water decoction （12， 3 g/kg， calculated by crude drug） of the fruits of P. chinense var. glabriusulum Schneid. both had obvious expectorant and cough relief effects， and showed obvious dose-dependent relationship. A total of 38 volatile oil components were identified from the medicinal herbs， and the relative percentage contents of 8 components were greater than 1%， such as α -pinene， myrcene， β -caryophyllene， germanene D， isospathulenol； a total of 69 non-volatile oil components were identified， mainly including phenolic compounds， alkaloids， and flavonoids. The active ingredients screened from the identified components included 13 compounds such as α-pinene， myrcene， chlorogenic acid， luteolin， berberine. There were a total of 55 intersection targets with diseases， and the core targets were tumor necrosis factor （TNF）， epidermal growth factor receptor （EGFR）， vascular endothelial growth factor A （VEGFA）， serine/threonine kinase proteins （AKT1） and Toll-like receptor 4 （TLR4）. The molecular docking results showed that the active ingredients and the core targets had good binding ability. GO functional analysis found that the targets were significantly enriched in biological processes such as the reaction affecting lipopolysaccharides， the positive regulation of peptidyl serine phosphorylation， and the positive regulation of the biosynthesis process of nitric oxide. KEGG pathway enrichment analysis found that the targets were significantly enriched in the signaling pathways such as cancer， non-small cell lung cancer， proteoglycans in cancer. CONCLUSIONS Fruits of P. chinense var. glabriusulum Schneid. have obvious expectorant and cough relief effects， and its material basis may be α-pinene， myrcene， chlorogenic acid， luteolin， berberine， etc.， and mainly act on TNF， EGFR， VEGFA， AKT1， TLR4 and its significantly enriched signaling pathway. |
| 期刊： | 2023年第34卷第17期 |
| 作者： | 张桂荣；李杨松；罗婕；张瑾；杨转珍；朱宝洁；江莉媛；吕光华；龙飞 |
| AUTHORS： | ZHANG Guirong， LI Yangsong，LUO Jie，ZHANG Jin，YANG Zhuanzhen，ZHU Baojie，JIANG Liyuan，LYU Guanghua，LONG Fei |
| 关键字： | 秃叶黄檗果实；挥发油；水煎液；祛痰；止咳；网络药理学；物质基础；作用机制 |
| KEYWORDS： | Fruits of Phellodendron chinense var. glabriusulum Schneid.； volatile oil； water decoction； expectoration； cough |
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