基于J2EE构架的药物与靶点综合数据库及其查询系统(DTDB)的设计与实现

Design and implement of a drug and target database (DTDB)based on J2EE architecture

介绍了收集、整理目前已发现的所有药物及其作用靶点的相关信息,并整合现代分子生物、药物、化学等的最新进展,采用业界领先的 Java 的 J2EE 框架,建立一个综合的数据库系统的过程.同时在该综合数据库系统的基础上,嵌入药物分子和靶点的对接技术,使得该系统除用于一般的药物分子和靶点查询之外,还能实现基于分子反向对接的虚拟筛选和通过药物分子寻找其作用的潜在蛋白靶点.

The paper briefly describes the author developed an integrative database system（DTDB） through collecting all the information of drugs and targets currently available and integrating the most recent research achievement of contemporary molecular biology, pharmaceutics and chemistry. This system will be established by using the advanced J2EE architecture. Also the author shall embed the docking technique into the integrated drug and target database. This leads that in addition to the simple and traditional database query of drug molecule and target, our system could also be used to visual screening based on the inverse-docking and the potential effective protein target searching by drug molecule. The database is temporarily visited by the single computer user and the web-site is being constructed.