常用活血化瘀类中药组分数据库的构建

目前,中药组分数据库多以化学成分的结构、活性为主,但缺少相关中药的药性、功效和药理作用等信息,难以适应中药组分数据挖掘的要求。为了有利于探讨功效与药理之间的关联关系,本文以53味常用活血化瘀类中药及其1646个组分数据为例,采集其基本信息,并按作用机制相同或相似等原则规范功效和药理数据,以ISIS/Base数据库管理系统为平台,建立常用活血化瘀类中药组分数据库。数据库由组分实体、中药实体、文献实体及其关系构成,其中组分实体有组分二、三维结构、来源和活性等13个属性,中药实体有药性、功效和药理等18个属性,文献实体有文献ID和具体文献2个属性,3个实体间的数据表通过控键互相切换。本数据库针对性强,数据相对完备,结构易与其它中药成分或天然产物数据库兼容,适于开展活血化瘀类中药药性、功效、药理指标及其物质基础的数据挖掘研究。本数据库的建立不仅为活血化瘀类中药及其组分的数据挖掘提供了研究平台,而且为探讨中药组分的数据挖掘提供了有效的方法和思路。

Building of BSTCD:components database of blood-activating and stasis-eliminating TCM

At present,the components databases of TCM mainly focus on the information about structures and activities lack of the in- formation about related TCM make it not suitable for data mining in the field of TCM.The Components Database of Blood-activating and Stasis-eliminating TCM (BSTCD) was established in the present paper,which is benefit for the data mining on the relationship between the TCM and their components.The database includes the traditional medical information of 53 kinds of TCM and their components up to 1646 records.It is composed by three kinds of entity and their attributes.The 13 attributes of component entity mainly include 2D- structure,3D-structure,source and activity.The 18 attributes of TCM entity mainly include drug property,effect and activity.The at- tributes of reference entity include the identification number and the information about the references.The framework of the database is compatible with other components databases of TCM and natural products.The work presented in the paper will provide not only a data mining platform on the Blood-activating and Stasis-eliminating TCM and their components,but also the methodology to the components data mining of TCM.