基于UPLC-Q-Exactive-Orbitrap-MS、网络药理学和实验验证探讨裸花紫珠抗H1N1活性成分及其作用机制
R285.5; 本实验首先对裸花紫珠的提取物进行萃取,得到不同的萃取部位,然后对各部位进行抗甲型流感病毒H1N1型(H1N1)活性筛选,确定裸花紫珠乙酸乙酯萃取部位(EACN)具有较好的体外抗H1N1的活性.采用超高效液相色谱-四级杆-静电场轨道阱联用(UPLC-Q-Exactive-Orbitrap-MS)技术对EACN进行定性分析.基于定性分析的结果,进一步使用数据挖掘和网络药理学,评估药物的活性成分、关键靶点和关键通路,最后使用H1N1感染BALB/c小鼠模型对预测结果进行验证.结果显示,在各个萃取部位中,乙酸乙酯部位体外抗H1N1效果最佳,半数抑制浓度(IC50)为 51 μg/mL,...
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| Published in | 天然产物研究与开发 Vol. 36; no. 2; pp. 279 - 292 |
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| Main Authors | , , , , , |
| Format | Journal Article |
| Language | Chinese |
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山东中医药大学药学院,济南 250355%济宁医学院基础医学院,济宁 272067%山东省疾病预防控制中心,济南 250014%山东中医药大学青岛中医药科学院,青岛 266000
23.02.2024
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| Subjects | |
| Online Access | Get full text |
| ISSN | 1001-6880 |
| DOI | 10.16333/j.1001-6880.2024.2.011 |
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| Abstract | R285.5; 本实验首先对裸花紫珠的提取物进行萃取,得到不同的萃取部位,然后对各部位进行抗甲型流感病毒H1N1型(H1N1)活性筛选,确定裸花紫珠乙酸乙酯萃取部位(EACN)具有较好的体外抗H1N1的活性.采用超高效液相色谱-四级杆-静电场轨道阱联用(UPLC-Q-Exactive-Orbitrap-MS)技术对EACN进行定性分析.基于定性分析的结果,进一步使用数据挖掘和网络药理学,评估药物的活性成分、关键靶点和关键通路,最后使用H1N1感染BALB/c小鼠模型对预测结果进行验证.结果显示,在各个萃取部位中,乙酸乙酯部位体外抗H1N1效果最佳,半数抑制浓度(IC50)为 51 μg/mL,半数细胞毒浓度(CC50)为 859.4 μg/mL,选择指数(SI,CC50/IC50)为 16.85.从 EACN 中鉴定出34种化合物,在此基础上,利用网络药理学,筛选出和EACN抗H1N1相关的药物靶点67个,靶点共涉及生物过程491个,与抗H1N1相关的通路147个.H1N1感染BALB/c小鼠实验结果发现,EACN能改善H1N1感染引起的体重降低和肺指数的增加,降低小鼠肺组织的病毒载量,减轻小鼠肺组织的病理损伤,降低外周血血清中TNF-α、IFN-γ、IL-1β水平.实验结果提示EACN可能从直接抑制病毒、抗炎作用和免疫调节作用等多个途径发挥抗H1N1的作用. |
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| AbstractList | R285.5; 本实验首先对裸花紫珠的提取物进行萃取,得到不同的萃取部位,然后对各部位进行抗甲型流感病毒H1N1型(H1N1)活性筛选,确定裸花紫珠乙酸乙酯萃取部位(EACN)具有较好的体外抗H1N1的活性.采用超高效液相色谱-四级杆-静电场轨道阱联用(UPLC-Q-Exactive-Orbitrap-MS)技术对EACN进行定性分析.基于定性分析的结果,进一步使用数据挖掘和网络药理学,评估药物的活性成分、关键靶点和关键通路,最后使用H1N1感染BALB/c小鼠模型对预测结果进行验证.结果显示,在各个萃取部位中,乙酸乙酯部位体外抗H1N1效果最佳,半数抑制浓度(IC50)为 51 μg/mL,半数细胞毒浓度(CC50)为 859.4 μg/mL,选择指数(SI,CC50/IC50)为 16.85.从 EACN 中鉴定出34种化合物,在此基础上,利用网络药理学,筛选出和EACN抗H1N1相关的药物靶点67个,靶点共涉及生物过程491个,与抗H1N1相关的通路147个.H1N1感染BALB/c小鼠实验结果发现,EACN能改善H1N1感染引起的体重降低和肺指数的增加,降低小鼠肺组织的病毒载量,减轻小鼠肺组织的病理损伤,降低外周血血清中TNF-α、IFN-γ、IL-1β水平.实验结果提示EACN可能从直接抑制病毒、抗炎作用和免疫调节作用等多个途径发挥抗H1N1的作用. |
| Abstract_FL | In this experiment,the extracts of Callicarpa nudiflora were extracted to obtain different extraction parts,and then the sites were screened for anti-influenza A virus H1N1(H1N1)activity,and it was determined that the ethyl acetate extrac-tion part of Callicarpa nudiflora(EACN)had better anti-H1N1 activity in vitro.Qualitative analysis of EACN by ultra per-formance liquid chromatography-quaternary/orbitrap-high resolution mass spectrometry(UPLC-Q-Exactive-Orbitrap-MS)technique was performed.Based on the results of qualitative analysis,data mining and network pharmacology were further used to evaluate the active ingredients,key targets and critical pathways of the drug.Finally,the prediction results were validated u-sing the H1N1 infected BALB/c mouse model.The results showed that the ethyl acetate extract had the best anti-H1N1 effect in vitro,with half inhibitory concentration(IC50)of 51 μg/mL,half cytotoxic concentration(CC50)of 859.4 μg/mL,and se-lection index(SI,CC50/IC50)value of 16.85.Thirty-four compounds were identified from EACN.On this basis,67 drug tar-gets related to EACN anti-H1N1 were screened using network pharmacology,including 491 biological processes and 147 path-ways related to anti-H1N1.The experimental results of H1N1 infected BALB/c mice showed that EACN could improve the weight loss and lung index increase caused by H1N1 infection,reduce the viral load of mouse lung tissue,alleviate the patho-logical injury of mouse lung tissue,and reduce the levels of TNF-α,IFN-γ and IL-1β in peripheral blood serum.The results suggest that EACN may play an anti-H1N1 role in many ways,such as direct inhibition of virus,anti-inflammatory effect and immunomodulatory effect. |
| Author | 侯林 杨颖 陈岩 田景振 邵骏菁 许金珂 |
| AuthorAffiliation | 山东中医药大学药学院,济南 250355%济宁医学院基础医学院,济宁 272067%山东省疾病预防控制中心,济南 250014%山东中医药大学青岛中医药科学院,青岛 266000 |
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| Author_FL | XU Jin-ke HOU Lin YANG Ying SHAO Jun-jing CHEN Yan TIAN Jing-zhen |
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| DocumentTitle_FL | Study on the active components and mechanism of Callicarpa nudiflora against H1N1 based on UPLC-Q-Exactive-Orbitrap-MS,network pharmacology and experimental validation |
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| Keywords | 网络药理学 裸花紫珠 UPLC-Q-Exactive-Orbitrap-MS network pharmacology H1N1 Callicarpa nudiflora |
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| Title | 基于UPLC-Q-Exactive-Orbitrap-MS、网络药理学和实验验证探讨裸花紫珠抗H1N1活性成分及其作用机制 |
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