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4月week1文献阅读:ETCM: an encyclopaed

4月week1文献阅读:ETCM: an encyclopaed

作者: 米妮爱分享 | 来源:发表于2019-04-07 16:22 被阅读0次

4月week1文献阅读:ETCM: an encyclopaedia of traditional Chinese medicine

中医百科全书:中医的百科全书

ABSTRACT

Traditional Chinese medicine (TCM) is not only an effective solution for primary health care, but also a great resource for drug innovation and discovery.

中医药不仅是初级卫生保健的有效解决方案,而且是药物创新和发现的重要资源。

To meet the increasing needs for TCM-related data resources, we developed ETCM, an Encyclopedia of Traditional Chinese Medicine.

为了满足日益增长的中医相关数据资源的需求,我们开发了ETCM,一本中医百科全书。

ETCM includes comprehensive and standardized information for the commonly used herbs and formulas of TCM, as well as their ingredients.

ETCM包括常用草药和中药配方及其成分的全面和标准化信息。

The herb basic property and quality control standard,formula composition,ingredient drug-likeness, as well as many other information provided by ETCM can serve as a convenient resource for users to obtain thorough information about a herb or a formula.

ETCM提供的草药基本性质和质量控制标准、配方组合、成分药物相似度等信息,为用户获取草药或配方的详细信息提供了方便。

To facilitate functional and mechanistic studies of TCM,ETCM provides predicted target genes of TCM ingredients, herbs, and formulas, according to the chemical fingerprint similarity between TCM ingredients and known drugs.

为了促进中医药的功能和机理研究,ETCM根据中药成分与已知药物的化学指纹图谱相似性,提供了中药成分、中药、方剂的预测靶基因。

A systematic analysis function is also developed in ETCM, which allows users to explore the relationships or build networks among TCM herbs, formulas,ingredients, gene targets, and related pathways or diseases.

ETCM还开发了系统分析功能,允许用户探索中药、方剂、成分、基因靶点、相关通路或疾病之间的关系或建立网络。

ETCM is freely accessible at http: //www.nrc.ac.cn:9090/ETCM/.We expect ETCM to develop into a major data warehouse for TCM and to promote TCM related researches and drug development in the future.

ETCM可以通过http: //www.nrc.ac.cn:9090/ETCM/免费访问,我们希望ETCM能够发展成为一个主要的中医药数据仓库,并在未来推动中医药相关研究和药物开发。

(基础:中药数据库,中药基本信息,开发功能:预测重要成分,中药,方剂的预测靶基因,允许用户预测中药,方剂,成分,基因靶点,建立相关通路,疾病之间的关系网络。)

INTRODUCTION

TCM is also a great resource for modern drug research and development.

中医药也是现代药物研发的重要资源。

ManyTCM-deriveddrugs have shown remarkable effects in curing diseases, such as artemisinin, digitoxin, quinine and celastrol.

许多中药衍生物在治疗疾病方面表现出显著的疗效,如青蒿素、洋地黄毒素、奎宁和celastrol。

The most recognized effect of TC is the use of artemisinin-based remedies to treat malaria,which was awarded the Nobel Prizein Physiology and Medicine in 2015 (4). After that, growing attention has been attracted to TCM, which also brought the increasing needs for TCM related data resources.

TC最显著的作用是利用青蒿素为基础的药物治疗疟疾,2015年获得诺贝尔生理学和医学奖(4)。此后,中医药受到越来越多的关注,对中医药相关数据资源的需求也越来越大。

(中药的重要性)

Over 11000 herb plants have been recorded in various TCM related pharmacopeia, and the commonly used ones are ∼700 species.

各种与中药有关的药典记载了11000多种草本植物,其中常用的约700种。

As TCM usually combines multiple herbs as formulas in disease treatments, thousands of herbal formulas have been generated and widely applied in clinics.

由于中医在治疗疾病的过程中往往采用多味药结合的方剂,因此产生了数千种方剂,并广泛应用于临床。

In theory, TCM herbal formulas contain multiple effective ingredients, thus can simultaneously regulate many targets within cells, therefore to reestablish balanced physiological regulatory networks of patients and to cure diseases (5,6).

从理论上讲,中药配方含有多种有效成分,可以同时调控细胞内的多个靶点,从而重建患者平衡的生理调控网络,治愈疾病(5,6)。

Yet the molecular targets of most TCM formulas and ingredients still remain elusive,which becomes one of the biggest hurdles in the application of TCM and TCM-based drug discovery.

然而,大多数中药配方和成分的分子靶点仍不明确,这成为中药应用和基于中药的药物发现的最大障碍之一。

(目前中药应用情况)

The recent development of several TCM-related databases, such as HIT (7), TCMGeneDIT (8), TCMMESH (9), TCM-ID (10), TCMSP (11), TCMID (12,13),have provided useful data and tools for TCM-based research and drug discovery.

近年来,HIT(7)、TCMGeneDIT(8)、TCMMESH(9)、TCM-ID(10)、TCMSP(11)、TCMID(12,13)等中药数据库的开发,为基于中药的研究和药物发现提供了有用的数据和工具。

Yet most databases only focus on herbs and their components, thus the relationships between formulas and herbs/components are missing.

然而,大多数数据库只关注草药及其成分,因此缺少了配方和草药/成分之间的关系。

None of these databases provide the habitat and quality control information of herbs, which is considered as a major factor for the effectiveness of TCM.

这些数据库都没有提供草药的生境和质量控制信息,而这被认为是影响中药疗效的主要因素。

In addition, the design of some databases are obsolete, with limited information and are difficult to use.

此外,一些数据库的设计过时,资料有限,难以使用。

Here, we present ETCM, an Encyclopedia of Traditional Chinese Medicine (http://www.nrc.ac.cn:9090/ETCM/), which includes multiple aspects of clinical and functional essential information on403TCMherbspecies,3962TCMformulas,7274herbal ingredients, 2266 validated or predicted drug targets, as well as 3027 related diseases.

在此,我们提出了ETCM,一本中医百科全书(http://www.nrc.ac.cn:9090/ETCM/),包括403tcmherbspecies, 3962tcm, 7274草药成分,2266验证或预测的药物靶点,以及3027种相关疾病的临床和功能基本信息的多个方面。

All these information is comprehensively linked to each other in the database and displayed with user friendly interfaces, which can serve as a valuable resource for TCM-related research and drug discovery.

所有这些信息在数据库中全面链接,并以用户友好的界面显示,为中医药相关研究和药物发现提供了宝贵的资源。

(目前基于中药数据库,这些数据库的局限性,我们提出的 ETCM 的创新性。)

DATA RESOURCES AND DATABASE CONTENTS

ETCM combines data from multiple sources and provides comprehensive information on the commonly used TCM herbs, herbal formulas, ingredients, as well as the predicted drug targets of ingredients, and their related diseases.

ETCM综合了来自多个来源的数据,提供了关于常用中药、中药配方、成分、预测药物靶点及其相关疾病的全面信息。

The major contents of ETCM are summarized in Table 1

ETCM的主要内容如表1所示

table1

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The herb information

These information was collected from the Pharmacopoeia of the People’s Republic of China (2015 version).

这些信息收集自《中华人民共和国药典(2015年版)》。

The pictures and habitat map of herbs were obtained from the Fourth National Survey on Chinese Materia Medica Resources (http://www.zyzypc.com.cn/), which was initiated by the State Administration of Traditional Chinese Medicine in China and carried out a large-scale investigation on Chinese medicinal resources in 1345 counties of China.

药材图片和产地图来源于第四次全国中药资源调查(http://www.zyzypc.com.cn/),该调查由国家中医药管理局发起,在中国1345个县开展了大规模的中药资源调查。

The colored provinces on the habitat maps are locations where the herbs can grow in China.

栖息地地图上的彩色省份是这些药草可以在中国生长的地方。

The ingredients of herbs were mainly extracted from published papers, as well as from ChEMBL (https://www.ebi.ac.uk/chembl/) and PubChem (https://pubchem.ncbi.nlm.nih.gov/).

草药的成分主要从已发表的论文中提取,也从ChEMBL(https://www.ebi.ac.uk/chembl/)和PubChem (https://pubchem.ncbi.nlm.nih.gov/)中提取。

(中药信息来源)

The formula information

配方信息

A total of 3962 TCM prescriptions approved by China Food and Drug Administration(CFDA) were collected and stored in the formula section of ETCM.

收集国家食品药品监督管理局(CFDA)批准的3962份中药处方,保存在ETCM方剂部分。

These prescriptions are the commonly used TCM formulas for treating various diseases or maintaining healthy body conditions in clinical practice.

这些方剂是临床常用的治疗各种疾病或保持身体健康的中药方剂。

The information of formula name, type, dosage form, composition, applicable indications and syndromes, as well as route of administration were obtained from the Pharmacopoeia of the People’s Republic of China (2015 version) and Drug Standard of Ministry of Public Health of the People’s Republic of China (1993 version).

配方名称、剂型、剂型、成分、适用适应症、证候、给药途径等信息从《中华人民共和国药典》(2015年版)和《中华人民共和国卫生部药品标准》(1993年版)中获得。

The external links to CFDA are provided to search more detailed drug information by clicking the formula name

CFDA的外部链接可以通过单击配方名称搜索更详细的药物信息

(药物配方基本信息和信息来源)

Quality standard of herbs and TCM prescriptions

中草药和中药处方的质量标准

To facilitate quality evaluation of TCM, the quantitative standards of marker ingredients of herbs and formulas are provided in the herb and formula sections of ETCM.

为方便对中药进行质量评价,ETCM的中药及方剂部分提供了中药及方剂标记成分的定量标准。

The quantitative standards are set according to the Pharmacopoeia of the People’s Republic of China (2015 version), which are the official TCM quality evaluation standards in China.

定量标准参照《中华人民共和国药典(2015年版)》制定,《药典》是中国官方的中药质量评价标准。

The ingredient information

成分信息

The ingredients of herbs and formulas reported in ETCM were collected manually according to the Pharmacopoeia of the People’s Republic of China (2015 version) and other literatures.

根据《中华人民共和国药典(2015年版)》等文献,手工采集ETCM中报道的中药成分和配方。

For each ingredient, its name, molecular formula, molecular weight, 2D structure, partition coefficient (ALogP), distribution coefficient (LogD), molecular solubility, molecular volume, surface area and polar surface area, as well as the number of rotatable bonds, H acceptors and H donors are included.

每一种成分的名称、分子式、分子量、二维结构、配分系数(ALogP)、分布系数(LogD)、分子溶解度、分子体积、比表面积、极性比表面积以及可旋转键数、H受体和H供体。

These physico-chemical properties were calculated using the Pipeline Pilot software(version 7.5).

这些物理化学性质是使用管道试验软件(7.5版)计算的。

External links to Public database sources, such as ChEMBL (https://www.ebi.ac.uk/chembl/) and PubChem (https://pubchem.ncbi.nlm.nih.gov/), are also provided for each ingredient.

还提供了到公共数据库源的外部链接,如ChEMBL (https://www.ebi.ac.uk/chembl/)和PubChem (https://pubchem.ncbi.nlm.nih.gov/)。

(成分信息来源和主要信息计算方式)

To estimate drug-likeness of each ingredient, pharmacokinetic parameters were calculated based on models in Pipeline Pilot ADMET collection, such as aqueous solubility, blood brain barrier penetration, CYP450 2D6 inhibition, hepatotoxicity, human intestinal absorption and plasma protein binding.

为了估算各成分的药物相似度,在Pipeline Pilot ADMET采集模型的基础上,计算了药物动力学参数,如溶解度、血脑屏障穿透、CYP450 2D6抑制、肝毒性、人体肠道吸收和血浆蛋白结合等。

A quantitative metrics, known as the quantitative estimate of drug-likeness (QED), was used for assessing drug-likeness, and the estimated values range from 0 (all properties are unfavorable) to 1 (all properties are favorable).

一种被称为药物相似度定量评估(QED)的定量指标被用于评估药物相似度,其估计值范围从0(所有属性都是不利的)到1(所有属性都是有利的)。

The reported mean QED values for attractive and unattractive components in drug development are 0.67 and 0.49, respectively (14–16).

有吸引力和无吸引力成分在药物开发中的平均QED值分别为0.67和0.49(14-16)。

Thus, we classified all 7274 ingredients collected in ETCM into three groups accordingcto thei rQED scores,good(QED>0.67),moderate (0.49≤QED≤0.67) and weak (QED < 0.49).

因此,我们将ETCM中收集到的7274种成分按照其rQED评分分为三组,分别为good(QED>0.67)、moderate(0.49≤QED≤0.67)和weak (QED < 0.49)。

The target information

We predicted potential targets for herbal ingredients in ETCM using MedChem Studio (version 3.0), an efficient drug similarity search tool to identify known drugs with high structural similarity (Tanimoto score > 0.8) to herbal ingredients.

我们使用MedChem Studio(3.0版)预测了ETCM中草药成分的潜在目标,这是一种高效的药物相似性搜索工具,用于识别已知的与草药成分具有高度结构相似性的药物(Tanimoto评分> 0.8)。

The Tanimoto Score is in the range of [0,1], where ‘0’ denotes completely different structures between ingredients and known drugs, and ‘1’ denotes identical structures of two components.

Tanimoto评分范围为[0,1],其中0表示成分与已知药物结构完全不同,1表示两种成分结构相同。

The therapeutic targets in the DrugBank database (17) of known drugs are considered as the candidate targets of the herbal ingredients with Tanimoto Scores >0.8 to the known drugs.

已知药物药库数据库(17)中的治疗靶点被认为是中药成分的候选靶点,Tanimoto对已知药物的>评分为0.8。

The biological functions and participated pathways of the candidate drug targets are investigated according to the Gene Ontology (18) and KEGG (Kyoto Encyclopedia of Genes and Genomes)pathway database(19).

根据基因本体论(18)和KEGG(京都基因基因组百科全书)通路数据库(19)研究候选药物靶点的生物学功能和参与途径

Enrichment of GeneOntology terms and KEGG pathways by target genes of each formula or herb is analyzed using in house python scripts with hypergeometric test

采用超几何检验方法,在house python脚本中分析了每个公式或草药的目标基因对遗传学术语和KEGG通路的富集.

(靶点的找寻,目标基因的基因本体和KEGG 通路的富集。)

The disease information

这种疾病的信息

The inconsistent gene or protein IDs of different resources were manually inspected and converted into Officia lGene Symbols and UniProt Accession Numbers.

对不同资源中不一致的基因或蛋白id进行人工检测,并将其转换为Officia lGene符号和UniProt号。

The diseases are linked to herbs and formulas according to the overlap of disease-causing genes and the putative target genes of herbs/formulas.

根据致病基因与草药/方剂的假定靶基因的重叠,将疾病与草药和方剂联系起来。

(疾病个药方,中药的联系)

Network analysis

ETCM uses the network module of a dynamic browser based visualization library vis.js (v4.21.0, http://visjs.org/ index.html) to construct user-friendly networks for multilevel interactions among herbs/formulas, targets and diseases.

ETCM使用基于动态浏览器的可视化库vis.js (v4.21.0, http://visjs.org/index.html)的网络模块,为草药/配方、目标和疾病之间的多级交互构建用户友好的网络。

The gene-gene interaction data were collected from five existing molecular interaction databases, including Reactome (https://reactome.org/, version 65), Human Protein Reference Database (HPRD, http://www.hprd.org/, Release 9), the Molecular INTeraction Database (MINT, https://mint.bio.uk/intact/,version:4.2.12)and Database of Interacting Proteins (DIP, https://dip.doe-mbi.ucla.edu/dip/, updated in Feb 13, 2017).

基因-基因相互作用数据收集自现有的5个分子相互作用数据库,包括Reactome (https://reactome.org/, version 65)、Human Protein Reference Database (HPRD, http://www.hprd.org/, Release 9)、molecular interaction Database (MINT, https://mint.bio.uniroma2it/, 2011年8月更新),完整的分子相互作用数据库(https://www.ebi.ac.uk/ complete /,版本:4.2.12)和相互作用蛋白数据库(DIP, https://dip.doe-mbi.ucla.edu/dip/, 2017年2月13日更新)。

Connections among herbs, formulas, pathways and diseases are established by the ingredients of herbs/formulas and the putative targets of each ingredient

草药、配方、途径和疾病之间的联系是由草药/配方的成分和每种成分的假定目标基因建立的。

DATABASE FEATURES AND WED INTERFACE

The ETCM database provides an easy-to-use platform for users to browse, search, and analyze TCM related information from various aspects.

ETCM数据库为用户从各个方面浏览、搜索和分析中医药相关信息提供了一个易用的平台。

The major functional schema of ETCM is summarized in Figure 1.

图1总结了ETCM的主要功能模式。


figure1

To facilitate TCM related basic researches, clinical applications and drug development, the ETCM database not only includes detailed medicinal properties of TCM herbs and formulas, but also provides potential links between TCM with target genes and modern diseases

为了促进中医药相关基础研究、临床应用和药物开发,ETCM数据库不仅包含了中药的详细药用特性和配方,还提供了中医药与靶基因和现代疾病之间的潜在联系

TCM-specific functional features

TCM-specific功能特性

TCM understands human bodies and diseases from a special systematic point of view, which is quite different from modern anatomy and medicines.

中医从一个特殊的系统角度认识人体和疾病,这与现代解剖学和医学有很大的不同。

For example, in TCM, herbs are classified according to their flavours (sour, salty, sweet,bitterandpungent),thepropertiesofherbsarecharacterized according to their effects (cold, hot, warm, cool, and even), and the target organs of herbs are defined by meridian tropisms (lung meridian, liver meridian, etc.).

例如,在中医中,根据草药的味道(酸、咸、甜、苦、辣)来分类,根据草药的功效(冷、热、暖、凉,甚至)来描述草药的性质,而草药的目标器官由经络(肺经、肝经等)来定义。

All these information are presented in the ‘Herbs’ section of ETCM (Figure 2A).

所有这些信息都显示在ETCM的“药草”部分(图2A)。

By clicking on the pie chart of each above mentioned category, users can obtain a full list of all herbs belonging to each category (Figure 2B).

点击上述各个类别的饼状图,用户可以得到属于每个类别的所有草药的完整列表(图2B)。

Figure2A fig2B

Detailed information of each herb can be retrieved by clicking on its Chinese or Pinyin name, including the habitat, best collection time, property, flavor, meridian tropism,indications,and chemical components of the herb.

每一种草药的详细信息可以通过点击其中文或拼音名称来检索,包括栖息地、最佳采集时间、性质、味道、经络、适应症和草药的化学成分。

The picture of each herb as well as its habitat map in China and Downloaded from https://academic.oup.com/nar/article-abstract/47/D1/D976/5144966 by Library of the Third School of Clinical Medical of Peking University user on 04 Apr quality control standard are provided (Figure 2C and D). Formulas containing each herb are also provided in the herb information page, clicking each formula name can link to the information page of the formula.

每个草药的图片以及它的栖息地在中国地图,从https://academic.oup.com/nar/article-abstract/47/D1/D976/5144966下载图书馆的北京大学第三临床医学学院的用户在04年4月质量控制标准提供(图2 c和D)。配方包含每一草药也提供的草药信息页面,点击每个公式名称可以链接到信息页的公式。

fig2C

](C:\Users\Administrator\AppData\Roaming\Typora\typora-user-images\1554621797832.png)

fig2D

It is worth to note that the herb in dication information provided in the‘Herbs’section is described according to the records in the Pharmacopoeia of the People’s Republic of China (2015 version),these indications are different from modern diseases, therefore we tried to use genes related to both TCM ingredients and modern diseases to build the links between TCM herb indications and modern diseases.

值得注意的是草在双阳离子信息中提供'Herbs 'section根据描述记录的中华人民共和国药典(2015年版),这些迹象是不同于现代疾病,因此我们试图使用中药成分和现代疾病相关基因构建中医草药迹象和现代疾病之间的联系。

Similarly, formulas collected in the ETCM database are also classified accordingto TCM syndromes, such as heart-clearing, blood-regulation, etc.

同样,ETCM数据库中收集的公式也根据中医证候分类,如清心、调血等。

Links to molecular biology and modern diseases

与分子生物学和现代疾病的联系

To facilitate the understanding of TCM functions from the modern science point of view, we performed target prediction for ingredients of the collected herbs and formulas according to the 2D MACCS fingerprint similarity between TCM ingredients and known drugs in the Drug Bank database,and considered the target genes of known drugs as the putative targets of TCM ingredients passed the fingerprint similarity test of the known drugs.

促进中医功能的理解,从现代科学的观点来看,从收集药草成分和配方,根据 2D MACCS ,我们把TCM中药成分和药物Bank数据库中已知的药物进行指纹图谱相似性的目标预测,并考虑已知的,过了指纹相似度测试的药物的目标基因称为TCM中药成分的假定的目标基因。

The collective targets of all ingredients of a herb or formula are considered as the putative targets of the herb or formula.

草药或配方中所有成分的总体目标被认为是草药或配方的假定目标。

Diseases associated with those target genes are also considered as diseases that may be cured by the herbs or formulas.

与这些目标基因相关的疾病也被认为是可以通过草药或配方治愈的疾病。

Gene Ontology terms or pathways enriched by genes targeted by certain ingredients, herbs, formulas or associated with certain diseases, are also included in ETCM (Figure 2E and F). To better illustrate the relationships among ingredients, herbs, formulas, target genes, gene-involved pathways and diseases, ETCM provides a systematic analysis function, which allows users to build networks among two or more above mentioned items.

通过基因靶向某些成分,草药、公式或与某些疾病有关的基因本体术语或途径丰富,也包括在ETCM(图2 e和F)。为了更好地说明成分之间的关系,草药,公式,目标基因,基因通路和疾病,ETCM提供了一个系统分析功能,允许用户建立网络中两个或两个以上的上述的数据集(herb,formulas,associated,diseases等)

fig2E fig2F

By entering a query item and selecting one or more categories, users are capable to build herb ingredient-target, ingredient-gene-pathway-disease, as well as many other networks (Figure 3). They can also mark or modify nodes and edges of a network to facilitate further researchers.

通过输入查询项并选择一个或多个类别,用户可以构建草药成分-目标、成分基因-路径-疾病以及许多其他网络(图3)。用户还可以标记或修改网络的节点和边缘,以方便进一步的研究。

fig3

All database contents and analysis results are available for download,and a clear user-manual is also provided

所有数据库内容和分析结果均可下载,并提供了清晰的用户手册

Disscussion

TCM regards human body as a whole system and gives specific prescriptions to each individual patient according to their disease conditions, these concepts are in good accordance with the goals of precision medicine.

中医把人的身体看作一个整体,根据病人的病情给每个病人开出具体的药方,这些观念与精准医疗的目标是一致的。

In recent years, the values of TCM are more and more appreciated.

近年来,中医的价值越来越受到重视。

With the hundreds and thousands of historically practiced herbs and formulas, TCM can also serve as a treasure house for modern drug development.

历史上有成千上万种草药和配方,中医药也可以作为现代药物开发的宝库。

Yet TCM-related dataresources are still very limited.

然而,中医相关的数据来源仍然非常有限。

To meet the increasing needs, we presented ETCM as a novel TCM-related database, which includes various aspects of essential information related to TCM herbs and formulas.

为了满足日益增长的需求,我们提出了ETCM作为一个新的中医相关数据库,其中包括与中药和方剂有关的各个方面的基本信息。

Compared with the limited available TCM-related data resources (7–13), ETCM is more comprehensive(e.g.with the habitat and quality control information of herbs,and drug-likeness information of ingredients) and more functional versatile (e.g. allows users to carry out cross-sectional analysis and build networks), as well as includes more items in each category.

与现有有限的中医相关数据资源(7-13)相比,ETCM更全面(如:与栖息地和质量控制信息的草药,药物相似的成分)和更多功能(例如允许用户进行横断面分析和建立网络),以及包括更多的项目在每个类别。

(ETCM 的优势)

To facilitate mechanistic studies on TCM herbs and formulas, we predicted target genes of TCM ingredients according to the structural and chemica similarity of ingredients with known drugs.

为促进中药及方剂的机理研究,根据中药成分与已知药物的结构和化学相似性,预测中药成分的靶基因。

Although the prediction method we used has been evaluated as one of the best performed methods in similarity based drug discovery (20,21), there may still be many false positives in the prediction results.

虽然我们使用的预测方法已经被评价为基于相似度的药物发现中表现最好的方法之一(20,21),但在预测结果中仍可能存在许多假阳性。

Thus, the target prediction results could only serve as a mechanism indication of TCM ingredients, herbs and formulas, and await to be investigated in the future.

因此,目标预测结果只能作为中药成分、药材及方剂的机制指示,有待于进一步研究。

(靶基因预测方法的局限性)

Multi-drug combination therapeutics has been considered as a rational and efficient therapeutic approach to control complex diseases by regulating various targets and exerting multiple pharmacological effects simultaneously (22).

多药物联合疗法被认为是一种通过调节多种靶点、同时发挥多种药理作用来控制复杂疾病的合理有效的治疗方法(22)。

As an empirical system of multi-drug combination therapeutics,TCM prescription soften include two or more Chinese herbs, the combinational effect of which may be greater than the sum of the individual effects (23).

作为一种多药联合治疗的经验体系,中药软方包括两种或两种以上中药,其组合效应可能大于个体效应之和(23)

Growing lines of evidence have shown that TCM patent prescriptions with multi-herb combination can increase the possibility of conquering complex diseases with reduced side effects and less adaptive resistance (24).

越来越多的证据表明,中药多味药结合的专利方剂可以增加攻克复杂疾病的可能性,减少副作用,降低适应性抵抗力(24)。

Therefore, understanding the synergistic mechanisms of herbs contained in TCM prescriptions may be of great significance to optimize and discover novel drug combinations.

因此,了解中药方剂的协同作用机制,对于优化和发现新的药物组合具有重要意义。

The ETCM database not only includes detailed information of 3962CFDA approved TCM prescriptions which have been extensively used in clinics with verified therapeutic effects, but also provides a systematic analysis tool for users to investigate putative mechanisms underlying the synergistic effects of ingredients or herbs in a TCM prescription.

ETCM数据库不仅包含3962份经国家食品药品监督管理局批准的中药处方的详细信息,这些中药处方已广泛应用于临床,疗效得到了验证。ETCM数据库还为用户提供了一个系统的分析工具,研究中药处方中成分或草药协同作用的可能机制。

(中药成分的协同作用,协同机制作用研究的重要性)

In conclusion, ETCM is a comprehensive data resource for aiding the mechanistic investigation, new drug discovery, and clinical application of TCM.

综上所述,ETCM是一个综合的数据资源,可以帮助中医药的机理研究、新药发现和临床应用。

It is free for academic use and the data can be conveniently exported.

它是免费的学术使用和数据可以方便地导出。

The database will be continually updated and expanded to include new data and functions in the future.

该数据库将不断更新和扩大,以包括新的数据和功能在未来。

DATA AVAILABILITY

AlldataofETCMisavailableathttp://www.nrc.ac.cn:9090/ ETCM/.

数据可用性AlldataofETCMisavailableathttp://www.nrc.ac.cn:9090/ ETCM/。

Downloaded from https://academic.oup.com/nar/article-abstract/47/D1/D976/5144966 by Library of the Third School of Clinical Medical of Peking Univ

由北京大学第三临床医学院图书馆下载,网址:https://academic.oup.com/nar/articl-abstract/47d1/d976 /5144966

ACKNOWLEDGEMENTS ,FUNDING,REFERENCES

详见 文章 :ETCM: an encyclopaedia of traditional Chinese medicine.

https://academic.oup.com/nar/article/47/D1/D976/5144966

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