BindingDB: A Tool for Structure-Based Drug Discovery

BindingDB：基于结构的药物发现工具

• 批准号: 6846561
• 负责人: MICHAEL K. GILSON
• 金额: $ 39.52万
• 依托单位: UNIVERSITY OF MD BIOTECHNOLOGY INSTITUTE
• 依托单位国家: 美国
• 财政年份: 2004
• 资助国家: 美国
• 起止时间: 2004-02-01 至 2008-01-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6846561
• 关键词: Internet; bioinformatics; chemical structure; data management; information dissemination; information retrieval; information systems; ligands; measurement; molecular biology information system; structural biology

DESCRIPTION (provided by applicant): Drug-discovery projects typically generate large quantities of binding data that is of considerable value to other research groups. Currently, these data are published almost exclusively via the scientific journals. The journals provide an indispensable archival service, are now available in electronic formats, and can be searched in useful ways. However, they also impose severe restrictions. For example, they provide no mechanisms for accessing data in numerical form, querying according to chemical structure, downloading computer representations of chemical structure, publishing large datasets in any detail, or navigating among binding data to structural or sequence data. This project aims to accelerate the discovery of targeted ligands by providing these and other functionalities through the establishment of a large, appropriately focused, and growing collection of binding measurements, coupled with web-accessible tools for querying the database and utilizing the data. Particular attention will be given to data for targets for which 3- dimensional structures are available or can be accurately modeled. This project will build on the BindingDB database (www.bindingdb.org), which has been in operation for approximately 2 years. The present project will dramatically expand the holdings and functionality of BindingDB to create a unique and valuable component of the public bioinformatics infrastructure.

描述（由申请人提供）：药物发现项目通常会产生大量的结合数据，这些数据对其他研究组具有相当大的价值。当前，这些数据几乎完全通过科学期刊发布。这些期刊提供必不可少的档案服务，现在以电子格式提供，可以以有用的方式进行搜索。但是，他们也施加了严格的限制。例如，它们没有提供以数值形式访问数据的机制，根据化学结构查询，下载化学结构的计算机表示，以任何细节发布大型数据集，或在结构或序列数据的绑定数据中导航。该项目旨在通过建立大型，适当的集中且不断增长的绑定测量收集，再加上可访问数据库并利用数据的可访问Web访问工具，从而加速目标配体的发现和其他功能。将特别关注3维结构可用或可以准确建模的目标数据的数据。该项目将建立在BindingDB数据库（www.bindingdb.org）上，该数据库已经运行了大约2年。本项目将大大扩展BindingDB的持有和功能，以创建公共生物信息学基础结构的独特和有价值的组成部分。