基于古籍文献挖掘和网络药理学的《圣济总录·口齿门》揩齿方用药规律及其核心方抗炎机制探析

武凤震; 刘菁; 朱敏敏; 王振国

doi:10.14148/j.issn.1672-0482.2022.1015

文章导航 > 南京中医药大学学报 > 2022 > 38(11): 1015-1026

武凤震, 刘菁, 朱敏敏, 王振国. 基于古籍文献挖掘和网络药理学的《圣济总录·口齿门》揩齿方用药规律及其核心方抗炎机制探析[J]. 南京中医药大学学报, 2022, 38(11): 1015-1026. doi: 10.14148/j.issn.1672-0482.2022.1015

引用本文:

WU Feng-zhen, LIU Jing, ZHU Min-min, WANG Zhen-guo. Exploration of the Prescription Rule of Kaichi Prescription and Anti-Inflammation Mechanism of the Core Prescription in Compilations of Chinese Medical Formulae Recorded by Imperial Court: Oral Medicine Based on the Excavation of Ancient Literature and Network Pharmacology[J]. Journal of Nanjing University of traditional Chinese Medicine, 2022, 38(11): 1015-1026. doi: 10.14148/j.issn.1672-0482.2022.1015

Citation:

WU Feng-zhen, LIU Jing, ZHU Min-min, WANG Zhen-guo. Exploration of the Prescription Rule of Kaichi Prescription and Anti-Inflammation Mechanism of the Core Prescription in Compilations of Chinese Medical Formulae Recorded by Imperial Court: Oral Medicine Based on the Excavation of Ancient Literature and Network Pharmacology[J]. Journal of Nanjing University of traditional Chinese Medicine, 2022, 38(11): 1015-1026. doi: 10.14148/j.issn.1672-0482.2022.1015

引用本文:

Citation:

基于古籍文献挖掘和网络药理学的《圣济总录·口齿门》揩齿方用药规律及其核心方抗炎机制探析

doi: 10.14148/j.issn.1672-0482.2022.1015

武凤震^{1, 2,},
刘菁^{1, 2, 3},
朱敏敏⁴,
王振国^{1, 2, ,}

1.
山东中医药大学中医文献与文化研究院, 山东济南 250355
2.
山东中医药大学中医药经典理论教育部重点实验室, 山东济南 250355
3.
山东中医药高等专科学校, 山东烟台 264199
4.
山东中医药大学第一临床医学院, 山东济南 250014

基金项目:

国家重点研发计划 2017YFC1702700

山东省科学技术厅重点研发计划项目 2016CYJS08A01-1

详细信息

作者简介:
武凤震, 男, 博士研究生, E-mail: 2606968080@qq.com

王振国，二级教授，博士生导师，岐黄学者，山东省政府“泰山学者攀登计划”专家，山东中医药大学副校长，中医文献与文化研究院院长，中医医史文献学国家重点学科带头人; 兼任科技部国家“973”项目中医理论专题第三届专家组成员，中华医学会医史学分会前任主任委员，中华中医药学会医史文献分会主任委员，国家中医药管理局中医药重点学科建设专家委员会副秘书长、国家中医药管理局中医药古籍保护与利用能力建设项目办公室主任、《中华医藏》学术办公室主任、中医药古籍文献传承专项管理办公室主任、中医学术流派重点研究室主任、山东省人文社会科学研究基地“中医药文献与文化研究中心”主任等。国家973项目“中药药性理论相关基础问题研究”首席科学家。曾获“国家科技进步二等奖” “全国优秀科技工作者”“全国五一劳动奖章”“山东省省级教学名师”“全国中医药高等学校教学名师”等荣誉，享受国务院政府特殊津贴

通讯作者:
王振国, 男, 教授, 主要从事中医古籍整理与经典理论诠释、中药药性理论研究, E-mail: zhenguow@126.com

中图分类号: R285.5
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出版历程
- 收稿日期: 2022-06-26
- 网络出版日期: 2022-11-19
- 发布日期: 2022-11-10

Exploration of the Prescription Rule of Kaichi Prescription and Anti-Inflammation Mechanism of the Core Prescription in Compilations of Chinese Medical Formulae Recorded by Imperial Court: Oral Medicine Based on the Excavation of Ancient Literature and Network Pharmacology

WU Feng-zhen^{1, 2
,},
LIU Jing^{1, 2, 3},
ZHU Min-min⁴,
WANG Zhen-guo^{1, 2
, ,}

1.
Institute of Chinese Medical Literature and Culture, Shandong University of Traditional Chinese Medicine, Jinan 250355, China
2.
Key Laboratory for Classical Theory of Traditional Chinese Medicine of Education Ministry, Shandong University of Traditional Chinese Medicine, Jinan 250355, China
3.
Shandong College of Traditional Chinese Medicine, Yantai 264199, China
4.
The First Clinical Medicine, Shandong University of Traditional Chinese Medicine, Jinan 250014, China

摘要

摘要: 目的挖掘《圣济总录·口齿门》揩齿方的用药规律并分析其核心方的抗炎机制。方法收集整理《圣济总录·口齿门》中的揩齿方, 对其进行描述性统计分析、高频药对与药组分析、核心方发现分析、核心方抗炎分子机制分析。结果共收集102首揩齿方, 方剂以治疗齿龈类疾病为主, 其中频数超过5的高频药物有细辛、升麻、皂荚、大青盐、麝香等33种, 通过关联规则分析得到46个药对与药组, 发现了药物组成为升麻、白芷、细辛、藁本的核心方。核心方中山柰酚、白芷醇等成分可通过作用于PTGS2、PIK3CA、MAPK8等多个靶点影响脂质与动脉粥样硬化、癌症、卡波西肉瘤相关疱疹病毒感染等多条通路发挥抗炎作用。结论揩齿方善用风药, 注重祛风止痛、芳香除臭、清热泻火。其核心方发挥抗炎作用具有多成分、多靶点、多通路的特点。
- 圣济总录 /
- 口齿门 /
- 揩齿方 /
- 数据挖掘 /
- 网络药理学 /
- 用药规律 /
- 抗炎
Abstract: OBJECTIVE To excavate the medication rule of Kaichi prescription in Compilations of Chinese Medical Formulae Recorded by Imperial Court: Oral Medicine and analyze the anti-inflammation mechanism of core prescription. METHODS Collect and organize the Kaichi prescription in Compilations of Chinese Medical Formulae Recorded by Imperial Court: Oral Medicine and perform descriptive statistical analysis, analysis of high-frequency Herb pairs and Herb groups, and analysis of core prescription and anti-inflammation mechanism of core prescription. RESULTS A total of 102 Kaichi prescriptions were collected, mainly for the treatment of gingival diseases, with 33 kinds of high-frequency Herbs with a frequency of more than 5, such as Radix et Rhizoma Asari, Rhizoma Cimicifugae, Fructus Gleditsiae, Halitum, Moschus, etc. Forty-six drug pairs and drug groups were obtained by association rule analysis, and the core prescription with herbs composition of Rhizoma Cimicifugae, Radix Angelicae Dahuricae, Radix et Rhizoma Asari and Rhizoma Ligustici was found. The active ingredients of the core prescription, including kaempferol and byakangelicol, can affect lipid and atherosclerosis, pathways in cancer and kaposi sarcoma-associated herpesvirus infection acting on targets such as PTGS2, PIK3CA and MAPK8 to treat inflammation. CONCLUSION The Kaichi prescription makes good use of wind medicine, focusing on dispelling wind and relieving pain, aromatic deodorization, as well as clearing heat and reducing internal heat. The core prescription has the characteristics of multi-components, multi-targets and multi-pathways in the treatment of inflammation.
- Compilations of Chinese Medical Formulae Recorded by Imperial Court /
- oral medicine /
- Kaichi prescription /
- data mining /
- network pharmacology /
- prescription rule /
- anti-inflammation

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图 1 研究流程图

Figure 1. Flow chart of the research

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图 2 关联规则气泡图

Figure 2. Association rules bubble chart

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图 3 核心方剂分析图

Figure 3. Analysis chart of core prescription

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图 4 药物靶点与疾病靶点韦恩图

Figure 4. Venn diagram of drug targets and disease targets

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图 5 药物-疾病靶点PPI网络

Figure 5. PPI network of drug-disease targets

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图 6 GO功能富集分析

Figure 6. GO enrichment analysis

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图 7 KEGG功能富集分析

Figure 7. KEGG pathway enrichment analysis

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图 8 “成分-靶点-通路”网络图

Figure 8. The "component-target-pathway" network diagram

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表 1 揩齿方主治疾病

Table 1. Diseases mainly treated by Kaichi prescription

编号	主治	频数	频率/%	累积频率/%
1	牙齿黄黑	12	11.76	11.76
2	齿龂宣露	10	9.80	21.57
3	牙齿动摇	10	9.80	31.37
4	肾虚齿风痛	8	7.84	39.22
5	齿间出血	7	6.86	46.08
6	口臭	7	6.86	52.94
7	须发黄白	7	6.86	59.80
8	风疳	6	5.88	65.69
9	齿风肿痛	4	3.92	69.61
10	虫蚀牙齿	4	3.92	73.53
11	牙齿疼痛	4	3.92	77.45
12	齿	3	2.94	80.39
13	牙齿历蠹	3	2.94	83.33
14	齿龈肿	2	1.96	85.29
15	口舌生疮	1	0.98	86.27
16	无明确记载	14	13.73	100.00

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表 2 使用频数超过5的药物

Table 2. Drugs with a frequency of more than 5

编号	药物	频数	频率/%	累积频率/%	编号	药物	频数	频率/%	累积频率/%	编号	药物	频数	频率/%	累积频率/%
1	细辛	37	5.84	5.84	12	川芎	12	1.89	41.49	23	槐枝	7	1.10	56.79
2	升麻	33	5.21	11.05	13	白矾	11	1.74	43.23	24	柳枝	7	1.10	57.89
3	皂荚	31	4.89	15.94	14	沉香	10	1.58	44.81	25	胡桐泪	6	0.95	58.84
4	大青盐	27	4.26	20.20	15	甘草	10	1.58	46.39	26	莽草	6	0.95	59.79
5	麝香	23	3.63	23.83	16	牛膝	10	1.58	47.97	27	附子	5	0.79	60.58
6	生地黄	20	3.15	26.98	17	丁香	9	1.42	49.39	28	甘松	5	0.79	61.37
7	白芷	19	3.00	29.98	18	石膏	9	1.42	50.81	29	海蛤	5	0.79	62.16
8	朱砂	18	2.84	32.82	19	白石英	8	1.26	52.07	30	诃子	5	0.79	62.95
9	寒水石	17	2.68	35.50	20	当归	8	1.26	53.33	31	槐白皮	5	0.79	63.74
10	地骨皮	13	2.05	37.55	21	防风	8	1.26	54.59	32	马齿苋	5	0.79	64.53
11	藁本	13	2.05	39.60	22	草乌	7	1.10	55.69	33	钟乳石	5	0.79	65.32

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表 3 揩齿方数据关联规则分析表

Table 3. Analysis table of association rules for Kaichi prescription data

编号	药对及药组	支持度/%	置信度/%	提升度
1	{藁本}⇒{升麻}	11.76	92.31	2.85
2	{藁本}⇒{细辛}	11.76	92.31	2.54
3	{白芷, 升麻}⇒{细辛}	11.76	92.31	2.54
4	{白芷, 细辛}⇒{升麻}	11.76	85.71	2.65
5	{藁本, 升麻}⇒{细辛}	10.78	91.67	2.53
6	{藁本, 细辛}⇒{升麻}	10.78	91.67	2.83
7	{寒水石, 升麻}⇒{细辛}	10.78	84.62	2.33
8	{寒水石, 细辛}⇒{升麻}	10.78	100.00	3.09
9	{沉香}⇒{升麻}	9.80	100.00	3.09
10	{沉香}⇒{细辛}	8.82	90.00	2.48
11	{沉香, 升麻}⇒{细辛}	8.82	90.00	2.48
12	{沉香, 细辛}⇒{升麻}	8.82	100.00	3.09
13	{白芷, 藁本}⇒{升麻}	8.82	100.00	3.09
14	{白芷, 藁本}⇒{细辛}	8.82	100.00	2.76
15	{白芷, 藁本, 升麻}⇒{细辛}	8.82	100.00	2.76
16	{白芷, 藁本, 细辛}⇒{升麻}	8.82	100.00	3.09
17	{藁本, 升麻, 细辛}⇒{白芷}	8.82	81.82	4.39
18	{丁香}⇒{升麻}	7.84	88.89	2.75
19	{沉香}⇒{寒水石}	7.84	80.00	4.80
20	{甘草}⇒{细辛}	7.84	80.00	2.21
21	{沉香, 寒水石}⇒{升麻}	7.84	100.00	3.09
22	{沉香, 升麻}⇒{寒水石}	7.84	80.00	4.80
23	{沉香, 寒水石}⇒{细辛}	7.84	100.00	2.76
24	{沉香, 细辛}⇒{寒水石}	7.84	88.89	5.33
25	{白芷, 寒水石}⇒{升麻}	7.84	100.00	3.09
26	{沉香, 寒水石, 升麻}⇒{细辛}	7.84	100.00	2.76
27	{沉香, 寒水石, 细辛}⇒{升麻}	7.84	100.00	3.09
28	{沉香, 升麻, 细辛}⇒{寒水石}	7.84	88.89	5.33
29	{白石英}⇒{朱砂}	6.86	87.50	4.96
30	{沉香, 丁香}⇒{升麻}	6.86	100.00	3.09
31	{丁香, 升麻}⇒{沉香}	6.86	87.50	8.93
32	{沉香, 丁香}⇒{细辛}	6.86	100.00	2.76
33	{丁香, 细辛}⇒{沉香}	6.86	100.00	10.20
34	{丁香, 升麻}⇒{细辛}	6.86	87.50	2.41
35	{丁香, 细辛}⇒{升麻}	6.86	100.00	3.09
36	{川芎, 升麻}⇒{细辛}	6.86	87.50	2.41
37	{藁本, 寒水石}⇒{升麻}	6.86	100.00	3.09
38	{藁本, 寒水石}⇒{细辛}	6.86	100.00	2.76
39	{白芷, 寒水石}⇒{细辛}	6.86	87.50	2.41
40	{沉香, 丁香, 升麻}⇒{细辛}	6.86	100.00	2.76
41	{沉香, 丁香, 细辛}⇒{升麻}	6.86	100.00	3.09
42	{丁香, 升麻, 细辛}⇒{沉香}	6.86	100.00	10.20
43	{藁本, 寒水石, 升麻}⇒{细辛}	6.86	100.00	2.76
44	{藁本, 寒水石, 细辛}⇒{升麻}	6.86	100.00	3.09
45	{白芷, 寒水石, 升麻}⇒{细辛}	6.86	87.50	2.41
46	{白芷, 寒水石, 细辛}⇒{升麻}	6.86	100.00	3.09

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表 4 核心方活性成分

Table 4. Active ingredients of core prescription

MolID	MolName	OB/%	DL	药材
SM1	n-cis-Feruloyltyramine	118.35	0.26	升麻
SM2	Tuberosine A	102.67	0.34	升麻
SM3	Cimicifugic acid	83.02	0.45	升麻
SM4	Paeoniflorin	53.87	0.79	升麻
SM5	Visamminol	50.01	0.23	升麻
SM6	23-epi-26-Deoxyactein	47.64	0.35	升麻
SM7	(20R, 24R)-24, 25-Epoxy-3-β-(β-D-xylopyranosyloxy)-9, 19-Cyclolanost-7-ene-16, 23-dione_qt	40.10	0.76	升麻
SM8	Cimigenol	37.19	0.40	升麻
SM9	Clionasterol	36.91	0.75	升麻
SM10	7, 8-Didehydrocimigenol	36.79	0.40	升麻
SM11	Cimicifugoside	33.84	0.74	升麻
SM12	24-epi-Acerinol	31.31	0.42	升麻
SM13	Norkhelloside	31.31	0.84	升麻
SM14	Methylcimicifugoside_qt	30.19	0.24	升麻
SM15	25-O-Acetylcimigenol-3-O-β-D-glc(1-2)β-D-xylopyranoside_qt	30.04	0.32	升麻
BZ1	Senbyakangelicol	58.00	0.61	白芷
BZ2	Nodakenin	57.12	0.69	白芷
BZ3	Marmesin	50.28	0.18	白芷
BZ4	Isoimperatorin	45.46	0.23	白芷
BZ5	Prangenin	43.60	0.29	白芷
BZ6	ZINC03860434	43.59	0.35	白芷
BZ7	Pabulenol	42.85	0.26	白芷
BZ8	Ethyl linoleate	42.00	0.19	白芷
BZ9	Byakangelicol	41.42	0.36	白芷
BZ10	Phellopterin	40.19	0.28	白芷
BZ11	Oxypeucedanin hydrate	39.99	0.29	白芷
BZ12	11, 14-Eicosadienoic acid, methyl ester	39.67	0.23	白芷
BZ13	Skimmin	38.35	0.32	白芷
BZ14	Cholesterol	37.87	0.68	白芷
BZ15	Propyleneglycol monoleate	37.60	0.26	白芷
BZ16	2-Linoleoylglycerol	37.28	0.30	白芷
BZ17	Methylenetanshinquinone	37.07	0.36	白芷
BZ18	β-Sitosterol	36.91	0.75	白芷
BZ19	Alloimperatorin	36.31	0.22	白芷
BZ20	Neobyakangelicol	36.18	0.31	白芷
BZ21	Alloisoimperatorin	34.80	0.22	白芷
BZ22	Imperatorin	34.55	0.22	白芷
BZ23	Squalene	33.55	0.42	白芷
BZ24	Cnidilin	32.69	0.28	白芷
BZ25	Ethyl oleate	32.40	0.19	白芷
XX1	Cryptopine	78.74	0.72	细辛
XX2	4, 9-Dimethoxy-1-vinyl-β-carboline	65.30	0.19	细辛
XX3	SCHEMBL119969	62.52	0.31	细辛
XX4	Sesamin	56.55	0.83	细辛
XX5	3-O-Methylviolanone	48.23	0.33	细辛
XX6	Kaempferol	41.88	0.24	细辛
XX7	Caribine	37.06	0.83	细辛
XX8	Asarinin	31.57	0.83	细辛
A1	3-epi-β-Sitosterol	36.91	0.75	升麻、藁本
A2	Stigmasterol	43.83	0.76	升麻、白芷

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参考文献(44)

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