基于UPLC-Q-TOF-MS/MS和网络药理学的半夏炮制前后差异性物质基础及功效分析

石琨群; 熊玥; 钱香; 朱育凤; 姚毅; 张倩; 刘史佳

doi:10.14148/j.issn.1672-0482.2024.0153

基于UPLC-Q-TOF-MS/MS和网络药理学的半夏炮制前后差异性物质基础及功效分析

doi: 10.14148/j.issn.1672-0482.2024.0153

石琨群^{1, 2,},
熊玥³,
钱香⁴,
朱育凤¹,
姚毅¹,
张倩^1, ,,
刘史佳^{1, 2, ,}

1.
南京中医药大学附属医院/江苏省中医院药学部, 江苏南京 210029
2.
南京中医药大学第一临床医学院, 江苏南京 210023
3.
江苏省畜产品质量检验测试中心, 江苏南京 210036
4.
宜兴市中医医院儿科，江苏宜兴 214299

基金项目:

江苏省中医药管理局科技项目 2020ZX11

江苏省中医药管理局科技项目 QN202107

江苏省中医药管理局科技项目 YB201918

江苏省中医院高峰人才项目 y2021rc36

2023年全国中药特色技术传承人才培训项目国中医药人教函〔2023〕96号

详细信息

作者简介:
石琨群, 女, 硕士研究生, E-mail: shikunqun@163.com

通讯作者:
刘史佳, 男, 研究员, 主要从事中药临床药理研究，E-mail: liushijia2011@163.com

张倩, 女, 副主任中药师, 主要从事中药质量控制与评价研究，E-mail: wednesday0515@163.com

中图分类号: R285.5
计量
- 文章访问数: 145
- HTML全文浏览量: 19
- PDF下载量: 28
- 被引次数: 0
出版历程
- 收稿日期: 2023-01-05
- 网络出版日期: 2024-02-26
- 发布日期: 2024-02-10

Analysis of the Material Basis and Efficacy of the Differences in the Preparation of Pinellia Ternate before and after Concoction Based on UPLC-Q-TOF-MS/MS and Network Pharmacology

SHI Kunqun^{1, 2
,},
XIONG Yue³,
QIAN Xiang⁴,
ZHU Yufeng¹,
YAO Yi¹,
ZHANG Qian^{1
, ,},
LIU Shijia^{1, 2
, ,}

1.
Department of Pharmacy, The Affiliated Hospital of Nanjing University of Chinese Medicine, Jiangsu Province Hospital of Chinese Medicine, Nanjing 210029, China
2.
The First School of Clinical Medicine, Nanjing University of Chinese Medicine, Nanjing 210023, China
3.
Jiangsu Animal Products Quality Inspection and Testing Center, Nanjing 210036, China
4.
Department of Paediatrics, Nanjing University of Chinese Medicine, Yixing 214299, China

摘要

摘要: 目的基于超高效液相色谱-四极杆-飞行时间质谱(UPLC-Q-TOF-MS/MS)和多变量统计分析, 筛选并鉴定半夏及其不同炮制品的差异性物质基础, 并针对共有及差异性物质基础进行网络药理学分析, 挖掘半夏炮制前后物质基础与功效变化的关系。方法采用UPLC-Q-TOF-MS/MS检测半夏及其炮制品共42批样品的主要物质基础并筛选差异性成分, 运用正交偏最小二乘判别分析(OPLS-DA), 以VIP>1.5、P＜0.01、FC>2或＜0.5为筛选标准, 通过数据库配对、文献比对鉴定得到差异性成分。进一步通过TCMIP数据库对差异性物质基础检索靶点, 对靶点进行蛋白互作分析, 最后通过GO富集和KEGG富集分析其代谢通路。结果生半夏与法半夏有14个差异性成分, 与生半夏相比, 法半夏含量升高的成分主要有甘草酸、甘草次酸、甘草素等, 含量降低的成分主要为酰胺类。生半夏与姜半夏有18个差异性成分, 主要为核苷类、黄酮类、氨基酸类。鸟苷、黄嘌呤及酪氨酸等含量降低, 磷酸腺苷含量升高。生半夏与清半夏有18个差异性成分, 清半夏中多种成分相对含量均降低, 如鞘氨醇。得到生半夏67个核心靶点，法半夏45个核心靶点，姜半夏38个核心靶点。结论建立的UPLC-Q-TOF-MS/MS方法能够较好地分离鉴定半夏中的化学成分, 结合多变量统计分析和网络药理学, 分析半夏及其炮制品的物质基础及潜在作用机制, 可为研究作用靶点提供思路, 为半夏及其炮制品的临床合理应用提供数据支持。
- 半夏 /
- 炮制品 /
- 差异性物质基础 /
- 多变量统计分析 /
- 网络药理学
Abstract: OBJECTIVE To screen and identify the differential substance bases of Pinellia ternate and its different concoctions, conduct network pharmacological analysis on the common and differential substance bases, and explore the relationship between the substance bases and the changes in the efficacy of Pinellia ternate before and after concoction based on the UPLC-Q-TOF-MS/MS and multivariate statistical analysis. METHODS The main substance bases of 42 batches of samples were examined by UPLC-Q-TOF-MS/MS, and the differential components were screened by orthogonal partial least squares discriminant analysis (OPLS-DA) with VIP>1.5, P < 0.01 and FC>2 or < 0.5 as the screening criteria. The targets were further retrieved from the TCMIP database, and their protein interactions were analysed by GO enrichment and KEGG enrichment to visualise the "herbal-component-target-pathway" map. RESULTS Compared with Pinellia ternate, Pinelliae Rhizoma Praeparatum has 14 different components, mainly glycyrrhetinic acid, glycyrrhizic acid and glycyrrhizin, etc. The components with reduced content were mainly amides. There were 18 differential constituents between raw and ginger, mainly nucleosides, flavonoids and amino acids. The content of guanosine, xanthine and tyrosine was reduced, while the content of adenosine monophosphate was increased. There were 18 differential components between raw and Pinelliae Rhizoma Praeparatum Cum Alumine, and the relative content of many components in Pinelliae Rhizoma Praeparatum Cum Alumine was reduced, such as sphingomyelin. Further, the TCMIP database was used to retrieve targets from the differential substance base, and protein interaction analysis was performed on the targets, resulting in 67 core targets for Pinellia ternate, 45 core targets for Pinelliae Rhizoma Praeparatum, and 38 core targets for Pinelliae Rhizoma Praeparatum cum Zingibere Et Alumine. Finally, the metabolic pathways were analyzed by GO enrichment and KEGG enrichment. CONCLUSION The UPLC-Q-TOF-MS/MS method established in this experiment can better isolate and identify the chemical components in Pinellia ternate. Combined with multivariate statistical analysis and network pharmacology, the material basis and potential mechanism of action of Pinellia ternate and its concoction products can provide ideas for the study of the action targets and provide data support for the rational clinical application of Pinellia ternate and its concoction products.
- Pinellia ternate /
- processed products /
- differential substance basis /
- multivariate statistical analysis /
- network pharmacology

HTML全文

图 1 半夏及其炮制品总离子流图

注：A.生半夏; B.法半夏; C.姜半夏; D.清半夏; QC.质控

Figure 1. TIC charts of Pinellia ternata and its processed products

下载: 全尺寸图片幻灯片

图 2 生半夏及其炮制品PCA得分图

注：SBX.生半夏; FBX.法半夏; JBX.姜半夏; QBX.清半夏。A.正离子模式; B.负离子模式

Figure 2. PCA score plots of Pinellia ternata and its processed products

下载: 全尺寸图片幻灯片

图 3 生半夏及其炮制品OPLS-DA图及置换检验

注：SBX.生半夏; FBX.法半夏; JBX.姜半夏; QBX.清半夏

Figure 3. OPLS-DA analysis and displacement test of Pinellia ternata and its processed products

下载: 全尺寸图片幻灯片

图 4 PPI网络图

注：A.生半夏; B.法半夏; C.姜半夏

Figure 4. PPI network

下载: 全尺寸图片幻灯片

图 5 GO富集

注：A.生半夏; B.法半夏; C.姜半夏

Figure 5. Analysis results of GO enrichment

下载: 全尺寸图片幻灯片

图 6 KEGG富集

注：A.生半夏; B.法半夏; C.姜半夏

Figure 6. Analysis results of KEGG enrichment

下载: 全尺寸图片幻灯片

图 7 “中药-成分-靶点-通路”图

注：A.生半夏; B.法半夏; C.姜半夏

Figure 7. "TCM-component-target-pathway"diagram

下载: 全尺寸图片幻灯片

表 1 半夏及其炮制品样品信息

Table 1. The information of Pinellia ternata and its processed products

编号	品名	批号/产地	提供厂家
1	生半夏	贵州妈姑镇	/
2	生半夏	贵州百纳	/
3	生半夏	湖北潜江	/
4	生半夏	贵州同镇乡	/
5	生半夏	山西运城	/
6	生半夏	贵州马场镇	/
7	生半夏	湖南新宁	/
8	生半夏	江苏泰州	/
9	生半夏	陕西商洛	/
10	生半夏	四川成都	/
11	法半夏	D2109074	四川新荷花中药饮片股份有限公司
12	法半夏	D2007020	四川新荷花中药饮片股份有限公司
13	法半夏	D2109125	四川新荷花中药饮片股份有限公司
14	法半夏	180301	安徽省万生中药饮片有限公司
15	法半夏	180704	安徽省万生中药饮片有限公司
16	法半夏	180703	安徽省万生中药饮片有限公司
17	法半夏	200301	安徽省万生中药饮片有限公司
18	法半夏	200601	安徽省万生中药饮片有限公司
19	法半夏	190901	安徽省万生中药饮片有限公司
20	法半夏	1807100	安徽鑫泰药业有限公司
21	法半夏	180601	安徽省万生中药饮片有限公司
22	法半夏	200802	安徽省万生中药饮片有限公司
23	姜半夏	D2110027	四川新荷花中药饮片股份有限公司
24	姜半夏	D1803063	四川新荷花中药饮片股份有限公司
25	姜半夏	200401	安徽鑫泰药业有限公司
26	姜半夏	201101	安徽鑫泰药业有限公司
27	姜半夏	200801	安徽省万生中药饮片有限公司
28	姜半夏	200301	安徽省万生中药饮片有限公司
29	姜半夏	180701	安徽省万生中药饮片有限公司
30	姜半夏	180702	安徽省万生中药饮片有限公司
31	姜半夏	D1804085	四川新荷花中药饮片股份有限公司
32	姜半夏	180302	安徽省万生中药饮片有限公司
33	姜半夏	180301	安徽省万生中药饮片有限公司
34	清半夏	D2108113	四川新荷花中药饮片股份有限公司
35	清半夏	D2110103	四川新荷花中药饮片股份有限公司
36	清半夏	D2106001	四川新荷花中药饮片股份有限公司
37	清半夏	D2003112	四川新荷花中药饮片股份有限公司
38	清半夏	2108033	四川新荷花中药饮片股份有限公司
39	清半夏	D2102069	四川新荷花中药饮片股份有限公司
40	清半夏	200601	安徽省万生中药饮片有限公司
41	清半夏	D2110062	四川新荷花中药饮片股份有限公司
42	清半夏	D1905059	四川新荷花中药饮片股份有限公司

下载: 导出CSV

表 2 QC样本峰面积RSD(%)

Table 2. RSD of peak area of QC sample(%)

正离子			负离子
RSD	比例	总计	RSD	比例	总计
0~10	50.80		0~10	46.53
10~20	15.56	74.48	10~20	25.06	78.94
20~30	8.16		20~30	7.52

下载: 导出CSV

表 3 生半夏及其炮制品差异性成分

Table 3. Analysis of the differences of Pinellia ternata and its processed products

序号	差异倍数	保留时间/min	化合物名称	分子式	离子模式	质荷比实测值	质荷比理论值	偏差ppm	二级碎片	文献
1	0.43	16.585	(2E, 4E)-N-(1, 3-Dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2, 4-dienamide	C₁₃H₂₃NO₃	[M+H]⁺	242.175 7	242.175 0	2.77	69.072 21, 85.030 5, 149.092 36, 192.024 34, 224.162 7
2	0.47	15.617	1-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide	C₂₆H₃₄N₄O₃	[M+H]⁺	451.269 0	451.271 0	-4.54	83.065 95, 110.069 11, 122.071 64, 220.113 4, 235.119 48, 253.133 71, 263.179 93, 336.202 94, 442.216 19
3	0.48	18.441	夏佛塔苷	C₂₆H₂₈O₁₄	[M-H]^-	563.136 8	563.140 6	-6.68	353.066 1, 383.076 6, 413.081 1, 443.100 7
4	2.41	1.923	[(2R, 3S, 4R)-5-(2, 4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 4-hydroxy-2-methoxy-6-methylbenzoate	C₁₈H₂₀N₂O₉	[M-H]^-	407.174 9	407.174 0	2.26	149.048 34, 179.055 57
5	2.56	5.459	腺苷-3′-磷酸	C₁₀H₁₄N₅O₇P	[M+H]⁺	348.07	348.0704	-1.12	98.994 93, 119.045 77, 136.062 19
6	2.57	23.649	甘草酸	C₄₂H₆₂O₁₆	[M+H]⁺	823.413 8	823.411 1	3.27	189.163 47, 453.334 29, 647.374 57	[5]
7	2.69	24.677	(1R, 2R, 5S, 8R, 14R, 15R, 16S)-16-hydroxy-1, 2, 14, 17, 17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo icosane-5, 15-dicarboxylic acid	C₃₀H₄₆O₅	[M+H]⁺	487.343 9	487.340 8	6.44	121.103 81, 187.148 13, 317.212 62, 405.314 7, 423.332 37, 441.323 18, 469.321 96
8	2.78	2.911	(3R, 4S)-4, 6, 8-trihydroxy-7-methoxy-3-methyl-3, 4-dihydroisochromen-1-one	C₁₁H₁₂O₆	[M-H]^-	239.058	239.056 8	4.85	96.965 62, 170.887 85
9	2.90	26.585	甘草次酸	C₃₀H₄₆O₄	[M+H]⁺	471.348 6	471.350 0	-3.06	135.116 3, 149.095 75, 189.165 66, 217.160 23, 235.164 96, 263.158 45, 317.196 29, 407.329 93, 425.346 74, 435.309 57, 453.339 57
10	3.22	23.248	甘草皂苷G2	C₄₂H₆₂O₁₇	[M-H]^-	837.389 3	837.391 4	-2.48	333.199 77, 351.034 12, 666.595 76, 826.739 62, 834.700 32	[6]
11	3.35	18.794	甘草素	C₁₅H₁₂O₄	[M+H]⁺	257.080 4	257.081 0	-2.14	81.035 03, 91.049 67, 109.027 37, 119.047 56, 137.023 54, 147.044 83, 163.041 18, 165.066 6, 183.074 89, 211.077 21, 239.069 24, 242.057 8	[7]
12	3.75	26.746	18β -甘草次酸	C₃₀H₄₆O₄	[M-H]^-	469.331 8	469.331 6	0.34	425.330 66	[6]
13	4.16	22.479	宝丹酮十一烯酸酯	C₃₀H₄₄O₃	[M+H]⁺	453.335 9	453.336 3	-0.99	107.085 49, 135.114 55, 149.131 88, 407.326 66
14	4.97	20.021	异甘草苷	C₂₁H₂₂O₉	[M+H]⁺	419.1315	419.134 0	-5.96	137.022 11, 147.042 01, 211.062 44, 236.202 32, 239.067 89, 242.056 44, 257.080 11	[5]
15	0.21	12.039	鸟苷	C₁₀H₁₃N₅O₅	[M-H]^-	282.083 5	282.084 4	-3.23	108.019 29, 108.598 31, 133.014 6, 136.822 36, 150.041 66
16	0.38	15.617	1-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide	C₂₆H₃₄N₄O₃	[M+H]⁺	451.269 0	451.271 0	-4.54	83.065 95, 110.069 11, 122.071 64, 220.113 4, 235.119 48, 253.133 71, 263.179 93, 336.202 94, 442.216 19
17	0.39	4.794	黄嘌呤	C₅H₄N₄O₂	[M-H]^-	151.026 1	151.026 2	-0.46	108.021 59
18	0.39	24.551	菊酸	C₁₂H₂₀O₂	[M-H]^-	195.138 6	195.139 1	-2.41	109.070 45, 138.070 42, 167.1387 9, 167.144 76, 183.329 06
19	0.39	18.441	夏佛塔苷	C₂₆H₂₈O₁₄	[M-H]^-	563.136 8	563.140 6	-6.68	353.066 1, 383.076 6, 413.081 1, 443.100 7
20	0.39	1.955	O-琥珀酰-L-高丝氨酸	C₈H₁₃NO₆	[M-H]^-	218.067 1	218.067	0.41	85.035 22, 88.042 75, 102.057 55, 103.340 35, 128.036 42, 146.060 03, 156.063 03, 200.045 53
21	0.41	15.183	N-Fructosyl phenylalanine	C₁₅H₂₁NO₇	[M+H]⁺	328.140 3	328.138 8	4.57	97.027 67, 132.082 81, 144.080 67, 166.084 92, 178.084 09, 264.124 66, 292.105 16, 310.126 65
22	0.43	5.091	酪氨酸	C₉H₁₁NO₃	[M-H]^-	180.065 1	180.066 6	-8.50	93.040 19, 93.045 75, 119.056 9, 119.059 41, 121.494 9, 163.043 17
23	0.44	3.308	5-羟甲基胞苷	C₁₀H₁₅N₃O₆	[M-H]^-	272.089 1	272.088 8	0.99	185.0915 4, 189.053 71, 212.052 57
24	0.45	1.593	2′-脱氧腺苷	C₁₀H₁₃N₅O₃	[M-H]^-	250.093 9	250.094 6	-2.68	73.041 15, 88.041 81, 88.046 13, 88.050 45, 88.066 67, 88.566 77, 88.819 53, 89.130 26
25	0.45	17.816	5, 7-dihydroxy-2-(4-hydroxyphenyl)-8-[3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3, 4, 5-trihydroxyoxan-2-yl)chromen-4-one	C₂₆H₂₈O₁₄	[M+H]⁺	565.156 9	565.154 3	4.53	295.054 66, 307.058 5, 325.067 41, 349.052 95, 379.083 53, 409.073 3, 427.083 19, 481.113 65, 511.122 65, 547.148 93
26	0.47	22.083	(9Z, 12E)-15, 16-dihydroxyoctadeca-9, 12-dienoic acid	C₁₈H₃₂O₄	[M+H]⁺	313.239 6	313.237 3	7.28	68.057 05, 81.031 75, 91.056 22, 93.067 46, 97.100 23, 105.071 43, 109.063 64, 111.081 59, 137.092 91, 145.100 97, 151.108 18, 259.199 22, 277.217 74, 295.221 92
27	0.48	24.692	N-甲基酪氨酸	C₁₀H₁₃NO₃	[M-H]^-	194.082 5	194.082 3	1.39	179.053 82
28	0.48	16.585	(2E, 4E)-N-(1, 3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2, 4-dienamide	C₁₃H₂₃NO₃	[M+H]⁺	242.175 7	242.175 0	2.77	69.072 21, 85.030 5, 149.092 36, 192.024 34, 224.162 7
29	0.49	16.565	泰吡培南酯	C₂₂H₃₁N₃O₆S₂	[M+H]⁺	498.173 9	498.173 0	1.73	294.115 48, 298.091 13, 323.111 88, 369.132 14, 410.184 66, 480.165 95
30	0.49	19.745	苯异戊二酮	C₁₁H₁₄O₄	[M+H]⁺	211.096 1	211.096 0	0.28	194.116 8
31	2.13	5.459	3′-磷酸腺苷	C₁₀H₁₄N₅O₇P	[M+H]⁺	348.070 0	348.070 4	-1.12	98.994 93, 119.045 77, 136.062 19
32	2.33	3.460	5-磷酸腺苷	C₁₀H₁₄N₅O₇P	[M-H]^-	346.055 0	346.055 8	-2.40	78.964 9, 78.966 94, 78.970 02, 96.978 29, 96.979 43, 134.055 76, 222.076
33	0.19	12.039	鸟苷	C₁₀H₁₃N₅O₅	[M-H]^-	282.083 5	282.084 4	-3.23	108.026 7, 133.018 4, 150.044 5
34	0.30	5.091	酪氨酸	C₉H₁₁NO₃	[M-H]^-	180.065 1	180.066 6	-8.50	93.040 19, 93.045 75, 119.056 9, 119.059 41, 121.494 9, 163.043 17
35	0.31	4.794	黄嘌呤	C₅H₄N₄O₂	[M-H]^-	151.026 1	151.026 2	-0.46	108.021 59
36	0.33	3.308	5-羟甲基胞嘧啶	C₁₀H₁₅N₃O₆	[M-H]^-	272.089 1	272.088 8	0.99	185.091 54, 189.053 71, 212.052 57
37	0.36	18.441	异牡荆素-2″-O-阿拉伯糖苷	C₂₆H₂₈O₁₄	[M-H]^-	563.136 8	563.139 8	-5.20	293.043 79, 413.081 12
38	0.41	15.183	N-Fructosyl phenylalanine	C₁₅H₂₁NO₇	[M+H]⁺	328.140 3	328.138 8	4.57	97.027 67, 132.082 81, 144.080 67, 166.084 92, 178.084 09, 264.124 66, 292.105 16，310.126 65
39	0.42	24.551	菊酸	C₁₂H₂₀O₂	[M-H]^-	195.138 6	195.139 1	-2.41	109.070 45, 138.070 42, 167.138 79, 167.144 76, 183.329 06
40	0.43	1.955	O-琥珀酰-L-高丝氨酸	C₈H₁₃NO₆	[M-H]^-	218.067 1	218.067	0.41	85.035 22, 88.042 75, 102.057 55, 103.340 35, 128.036 42, 146.060 03, 156.063 03, 200.045 53
41	0.44	16.565	泰吡培南酯	C₂₂H₃₁N₃O₆S₂	[M+H]⁺	498.173 9	498.173	1.73	294.115 48, 298.091 13, 323.111 88, 369.132 14, 410.184 66, 480.165 95
42	0.45	5.561	阿糖尿苷	C₉H₁₂N₂O₆	[M-H]^-	243.061 3	243.062 3	-4.11	66.041 35, 82.033 26, 110.025 82, 111.022 42, 122.028 31, 140.036 53, 152.034 04, 200.051 94
43	0.45	22.083	(9Z, 12E)-15, 16-Dihydroxyoctadeca-9, 12-dienoic acid	C₁₈H₃₂O₄	[M+H]⁺	313.239 6	313.237 3	7.28	68.057 05, 81.031 75, 91.056 22, 93.067 46, 97.100 23, 105.071 43, 109.063 64, 111.081 59, 137.092 91, 145.100 97, 151.108 18, 259.199 22, 277.217 74, 295.221 92
44	0.46	3.033	桉树素	C₁₉H₁₈O₅	[M+H]⁺	327.114 8	327.116	-3.82	98.981 98, 235.044 66, 237.083 24
45	0.46	15.617	1-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide	C₂₆H₃₄N₄O₃	[M+H]⁺	451.269	451.271	-4.54	83.065 95, 110.069 11, 122.071 64, 220.113 4, 235.119 48, 253.133 71, 263.179 93, 336.202 94, 442.216 19
46	0.48	17.816	5, 7-dihydroxy-2-(4-hydroxyphenyl)-8-[3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3, 4, 5-trihydroxyoxan-2-yl)chromen-4-one	C₂₆H₂₈O₁₄	[M+H]⁺	565.156 9	565.154 3	4.53	295.054 66, 307.058 5, 325.067 41, 349.052 95, 379.083 53, 409.073 3, 427.083 19, 481.113 65, 511.122 65, 547.148 93
47	0.48	19.745	苯异戊二酮	C₁₁H₁₄O₄	[M+H]⁺	211.096 1	211.096	0.28	194.116 8
48	0.49	23.856	鞘胺醇	C₁₈H₃₉NO₃	[M+H]⁺	318.301 5	318.299 4	6.41	60.046 04, 300.295 84	[5]
49	0.50	23.81	茉莉酸甲酯	C₁₃H₂₀O₃	[M-H]^-	223.134 8	223.134	3.59	166.076 8
50	0.50	16.773	N-L-γ-谷氨酰-L-亮氨酸	C₁₁H₂₀N₂O₅	[M+H]⁺	261.144	261.144 5	-1.88	86.096 95, 130.051 28, 132.101 73, 142.047 68, 152.110 18, 169.086 55, 198.116 35, 244.115 69
注: 1~14.法半夏与生半夏比较; 15~32.姜半夏与生半夏比较; 33~50.清半夏与生半夏比较。与生半夏相比, 差异倍数FC>1表示炮制品中该成分相对含量升高, FC＜1表示相对含量下降。

下载: 导出CSV

表 4 生半夏及其炮制品前10个核心靶点拓扑参数

Table 4. Topological parameters of the first 10 core targets of Pinellia ternata and its processed products

序号	基因名	度值	介数	紧密性	备注
1	AKT1	148	12 956.91	0.257 142 87	生半夏
2	EPRS	126	5 024.252	0.247 706 43
3	ALDH18A1	110	3 675.666 3	0.243 442 62
4	GOT2	100	1 591.117 6	0.235 714 29
5	GAD2	98	3 681.418	0.243 044 18
6	EARS2	96	2 784.839 8	0.236 842 11
7	GAD1	94	2 064.456 3	0.240 097 02
8	GLUL	92	1 650.316 9	0.239 130 44
9	GOT1	92	1 350.233 8	0.234 227 14
10	DLG4	90	1 630.903 7	0.242 251 22
11	GAPDH	218	9 785.235	0.6	法半夏
12	ACTB	216	9 337.987	0.602 484
13	AKT1	198	7 279.958	0.583 166
14	HSP90AA1	180	7 483.474	0.568 359
15	TNF	154	3 854.105	0.532 967
16	JUN	134	2 084.546	0.530 055
17	ESR1	128	2 437.737	0.524 324
18	HSPA8	124	3 703.567	0.525 271
19	CREB1	124	2 073.461	0.503 46
20	MAPK3	122	2 698.677	0.507 853
21	GAPDH	200	14 555.67	0.570 611	姜半夏
22	AKT1	178	10 780.17	0.553 704
23	INS	134	7 123.225	0.527 337
24	MAPK3	110	3 435.675	0.491 776
25	SRC	108	3 872.972	0.496 678
26	HIF1A	106	5 117.919	0.489 362
27	PPARG	102	2 801.175	0.489 362
28	CREB1	92	1 693.218	0.481 482
29	HSPA8	92	3 750.292	0.477 636
30	IDH1	82	1 841.436	0.462 848

下载: 导出CSV

参考文献(27)

[1]	国家药典委员会. 中华人民共和国药典: 四部[M]. 北京: 中国医药科技出版社, 2020. China Pharmacopoeia Committee. Pharmacopoeia of the People's Republic of China: Ⅳ[M]. Beijing: China Medical Science and Technology Press, 2020.
[2]	陈丽君, 李翠娟, 巩振东, 等. 半夏临床用量及毒性分析[J]. 山东中医杂志, 2020, 39(3): 298-301. CHEN L J, LI C J, GONG Z D, et al. Clinical dosage and toxicity analysis of Banxia[J]. Shandong J Tradit Chin Med, 2020, 39(3): 298-301.
[3]	邹天志, 罗玉梅. 半夏三种炮制品对比及临床处方应用探讨[J]. 中国合理用药探索, 2020, 17(11): 31-33. doi: 10.3969/j.issn.2096-3327.2020.11.008 ZOU T Z, LUO Y M. Discussion on the clinical application of Pinellia ternata with three different processing methods[J]. Chin J Ration Drug Use, 2020, 17(11): 31-33. doi: 10.3969/j.issn.2096-3327.2020.11.008
[4]	王珏, 郭钰昕, 姚毅, 等. 基于HPLC指纹图谱的半夏及其伪品鉴别研究[J]. 南京中医药大学学报, 2020, 36(2): 267-272. http://xb.njucm.edu.cn/article/id/zr20200225 WANG J, GUO Y X, YAO Y, et al. Identification of Pinellia ternata and its counterfeits based on HPLC fingerprint analysis[J]. J Nanjing Univ Tradit Chin Med, 2020, 36(2): 267-272. http://xb.njucm.edu.cn/article/id/zr20200225
[5]	崔美娜, 钟凌云, 兰泽伦, 等. 基于UPLC-Q-TOF-MS/MS分析多物料多流程炮制对半夏化学成分的影响[J]. 中草药, 2021, 52(24): 7428-7437. doi: 10.7501/j.issn.0253-2670.2021.24.004 CUI M N, ZHONG L Y, LAN Z L, et al. Effect of multi-material and multi-process processing on chemical composition of Pinellia ternata based on UPLC-Q-TOF-MS/MS[J]. Chin Tradit Herb Drugs, 2021, 52(24): 7428-7437. doi: 10.7501/j.issn.0253-2670.2021.24.004
[6]	杨彬, 王媛, 田梦, 等. 基于UPLC-Q-TOF-MS/MS研究法半夏中甘草化学成分[J]. 中国实验方剂学杂志, 2017, 23(3): 45-49. YANG B, WANG Y, TIAN M, et al. Analysis on chemical constituents of glycyrrhizae Radix et rhizoma in pinelliae rhizoma praeparatum by UPLC-Q-TOF-MS/MS[J]. Chin J Exp Tradit Med Formulae, 2017, 23(3): 45-49.
[7]	翟兴英, 张凌, 李冰涛, 等. 采用UPLC-Q-TOF-MS/MS分析半夏药材中的化学成分[J]. 中国实验方剂学杂志, 2019, 25(7): 173-183. ZHAI X Y, ZHANG L, LI B T, et al. Chemical components in pinelliae rhizoma by UPLC-Q-TOF-MS/MS[J]. Chin J Exp Tradit Med Formulae, 2019, 25(7): 173-183.
[8]	赵丽, 张成, 潘倩倩, 等. 半夏的化学成分和药理活性的研究[J]. 广州化工, 2022, 50(8): 15-17, 26. ZHAO L, ZHANG C, PAN Q Q, et al. Study on chemical constituents and pharmacological activities of Pinellia ternate[J]. Guangzhou Chem Ind, 2022, 50(8): 15-17, 26.
[9]	左军, 牟景光, 胡晓阳. 半夏化学成分及现代药理作用研究进展[J]. 辽宁中医药大学学报, 2019, 21(9): 26-29. ZUO J, MOU J G, HU X Y. Research progress in the chemical constituents and modern pharmacological effects of Pinellia ternata[J]. J Liaoning Univ Tradit Chin Med, 2019, 21(9): 26-29.
[10]	闫文莉. 半夏生品及其炮制品的有效成分和功效的差异性比较[J]. 临床研究, 2019, 27(6): 147-148. YAN W L. Comparison of the differences in the active ingredients and efficacy of Pinellia ternate and its processed products[J]. Clin Res, 2019, 27(6): 147-148.
[11]	翁元峰, 杨志彪. Rap1的生物学功能与调控的研究进展[J]. 生物化工, 2018, 4(5): 147-149. WENG Y F, YANG Z B. The research progress of biological functions and regulation of Rap1[J]. Biol Chem Eng, 2018, 4(5): 147-149.
[12]	黄发斌, 陈江兴, 吴颜丹, 等. 舒芬太尼通过miR-365-3p/AKT1抑制胃癌细胞迁移及侵袭[J]. 中国老年学杂志, 2021, 41(18): 4067-4073. doi: 10.3969/j.issn.1005-9202.2021.18.052 HUANG F B, CHEN J X, WU Y D, et al. Sufentanil inhibits migration and invasion of gastric cancer cells through miR-365-3p/AKT1[J]. Chin J Gerontol, 2021, 41(18): 4067-4073. doi: 10.3969/j.issn.1005-9202.2021.18.052
[13]	高琦, 董志超, 郭艳, 等. 环孢素A联合Wortmannin对胃癌细胞SGC-7901增殖抑制作用及对蛋白激酶B信号通路的影响[J]. 中国医院药学杂志, 2021, 41(24): 2559-2563. GAO Q, DONG Z C, GUO Y, et al. Cyclosporin A plus Wortmannin inhibited proliferation of gastric cancer cell SGC-7901 and its influence on protein kinase B signaling pathway[J]. Chin J Hosp Pharm, 2021, 41(24): 2559-2563.
[14]	蔡仁中, 廖绪强, 黄明芳, 等. 蛋白激酶B1基因介导内质网类似激酶/真核细胞翻译启始子2α信号通路参与肺癌细胞增殖及细胞凋亡进程的机制[J]. 中华实验外科杂志, 2021, 38(4): 684-688. CAI R Z, LIAO X Q, HUANG M F, et al. Mechanism of protein kinase B1 gene mediating protein kinase RNA like endoplasmic reticulum kinase/eukaryotic translation initiation factor 2 alpha signaling pathway in proliferation and apoptosis of lung cancer cells[J]. Chin J Exp Surg, 2021, 38(4): 684-688.
[15]	黄凤英, 高健美, 龚其海. 半夏药理作用及其毒性研究进展[J]. 天然产物研究与开发, 2020, 32(10): 1773-1781. HUANG F Y, GAO J M, GONG Q H. Research progress on pharmacological effects and toxicity of Pinellia ternata[J]. Nat Prod Res Dev, 2020, 32(10): 1773-1781.
[16]	杨丽, 周易, 王晓明, 等. 炮制对半夏化学成分及药理作用研究进展[J]. 辽宁中医药大学学报, 2022, 24(2): 49-53. YANG L, ZHOU Y, WANG X M, et al. Research progress on chemical constituents variation in processing of banxia(rhizoma pinelliae)[J]. J Liaoning Univ Tradit Chin Med, 2022, 24(2): 49-53.
[17]	刘宁, 张泽灵, 李利军, 等. 新冠肺炎临床治疗的探索与启示[J]. 中国中医药现代远程教育, 2020, 18(5): 48-51. LIU N, ZHANG Z L, LI L J, et al. Exploration and inspiration of clinical treatment of COVID-19[J]. Chin Med Mod Distance Educ China, 2020, 18(5): 48-51.
[18]	唐农. 基于中医经典理论探讨新冠肺炎防治思路[J]. 广西中医药, 2020, 43(1): 1-4. TANG N. Discussions on the prevention and treatment of COVID-19 based on the classic theories of traditional Chinese medicine[J]. Guangxi J Tradit Chin Med, 2020, 43(1): 1-4.
[19]	马荣, 樊亚梅, 王建, 等. 保宁半夏颗粒镇咳、祛痰、平喘的药效及机制研究[J]. 中药与临床, 2020, 11(1): 49-54, 63. MA R, FAN Y M, WANG J, et al. Study on the efficacy and mechanism of antitussive, expectorant and antiasthmatic effects of Baoning Banxia Granule[J]. Pharm Clin Chin Mater Med, 2020, 11(1): 49-54, 63.
[20]	张明发, 沈雅琴. 甘草及其提取物对呼吸系统的药理作用[J]. 现代药物与临床, 2010, 25(4): 262-267. ZHANG M F, SHEN Y Q. Effects of licorice and its extracts on respiratory system[J]. Drugs Clin, 2010, 25(4): 262-267.
[21]	丁兴杰, 熊亮, 周勤梅, 等. 天然核苷类成分的化学结构和药理活性研究进展[J]. 成都中医药大学学报, 2018, 41(2): 102-108. DING X J, XIONG L, ZHOU Q M, et al. Advances in studies on chemical structure and pharmacological activities of natural nucleosides[J]. J Chengdu Univ Tradit Chin Med, 2018, 41(2): 102-108.
[22]	SU T, TAN Y, TSUI M S, et al. Metabolomics reveals the mechanisms for the cardiotoxicity of Pinelliae Rhizoma and the toxicity-reducing effect of processing[J]. Sci Rep, 2016, 6: 34692.
[23]	周佳旭, 金钰莹, 高歌, 等. 1-磷酸鞘氨醇与心血管疾病的研究进展[J]. 中国药理学通报, 2022, 38(8): 1127-1131. ZHOU J X, JIN Y Y, GAO G, et al. Research progress of sphingosine-1-phosphate in cardiovascular diseases[J]. Chin Pharmacol Bull, 2022, 38(8): 1127-1131.
[24]	马建岭, 王丽云, 季坤, 等. 基于"气道神经源性炎症-TRP通路" 探讨慢性咳嗽发病机制及中医治疗[J]. 天津中医药, 2019, 36(7): 719-723. MA J L, WANG L Y, JI K, et al. To explore the pathogenesis and TCM treatment of chronic cough based on "airway neurogenic inflammation-TRP pathway"[J]. Tianjin J Tradit Chin Med, 2019, 36(7): 719-723.
[25]	杨凯晶, 于淼, 薛一涛. 中医药治疗心力衰竭及其对心肌组织ATP含量影响的研究进展[J]. 世界中医药, 2021, 16(8): 1320-1323, 1332. YANG K J, YU M, XUE Y T. Research progress of traditional Chinese medicine for the treatment of heart failure and its effect on ATP content of myocardial tissue[J]. World Chin Med, 2021, 16(8): 1320-1323, 1332.
[26]	张明发, 沈雅琴. 半夏及其炮制品对神经和循环系统的药理作用研究进展[J]. 抗感染药学, 2017, 14(9): 1643-1648. ZHANG M F, SHEN Y Q. Research progress in pharmacologic effects of pinelliae rhizoma and its processed products in nervous and circulatory systems[J]. Anti Infect Pharm, 2017, 14(9): 1643-1648.
[27]	MARX W, RIED K, MCCARTHY A L, et al. Ginger-Mechanism of action in chemotherapy-induced nausea and vomiting: A review[J]. Crit Rev Food Sci Nutr, 2017, 57(1): 141-146.

施引文献

资源附件(0)

访问统计

点击查看大图

图(7) / 表(4)

计量

文章访问数: 145
HTML全文浏览量: 19
PDF下载量: 28
被引次数: 0

姓名
邮箱
手机号码
标题
留言内容
验证码

留言板

基于UPLC-Q-TOF-MS/MS和网络药理学的半夏炮制前后差异性物质基础及功效分析

doi: 10.14148/j.issn.1672-0482.2024.0153

作者简介:
石琨群, 女, 硕士研究生, E-mail: shikunqun@163.com

通讯作者:
刘史佳, 男, 研究员, 主要从事中药临床药理研究，E-mail: liushijia2011@163.com

张倩, 女, 副主任中药师, 主要从事中药质量控制与评价研究，E-mail: wednesday0515@163.com

计量

Analysis of the Material Basis and Efficacy of the Differences in the Preparation of Pinellia Ternate before and after Concoction Based on UPLC-Q-TOF-MS/MS and Network Pharmacology

计量

目录

留言板

基于UPLC-Q-TOF-MS/MS和网络药理学的半夏炮制前后差异性物质基础及功效分析

doi: 10.14148/j.issn.1672-0482.2024.0153

作者简介: 石琨群, 女, 硕士研究生, E-mail: shikunqun@163.com

通讯作者: 刘史佳, 男, 研究员, 主要从事中药临床药理研究，E-mail: liushijia2011@163.com 张倩, 女, 副主任中药师, 主要从事中药质量控制与评价研究，E-mail: wednesday0515@163.com

计量

出版历程

Analysis of the Material Basis and Efficacy of the Differences in the Preparation of Pinellia Ternate before and after Concoction Based on UPLC-Q-TOF-MS/MS and Network Pharmacology

计量

出版历程

目录

作者简介:
石琨群, 女, 硕士研究生, E-mail: shikunqun@163.com

通讯作者:
刘史佳, 男, 研究员, 主要从事中药临床药理研究，E-mail: liushijia2011@163.com

张倩, 女, 副主任中药师, 主要从事中药质量控制与评价研究，E-mail: wednesday0515@163.com