A Public Cannabinoid Molecular Information Repository

描述（由申请人提供）：大麻素（CB）是一类GPCR靶向分子，代表了一个具有很大多样性的重要分子家族。它们的用途不仅限于研究药物滥用，还可以设计用于癌症化疗，艾滋病，疼痛缓解，肌肉痉挛，青光眼，免疫抑制等的新药。已经发表了数千篇关于CB研究和临床试验的期刊文章。大麻素社区正在形成自己的新科学研究流派。遗憾的是，由于传统的研究工作以纸质形式公布，CB配体的相关数据分散在档案期刊中。这使得发现、关联和验证报告的分子以及将报告的研究结果重新用于进一步研究变得非常困难。随着研究分子的科学家数量成倍增加，CB应用的规模呈指数级增长，预计这个问题在未来将更加严重。该提案的目标是开发一个公共存储库，其中包括结构化电子格式的大部分已发布的大麻素数据。有了这样一个数据库，科学家将能够轻松地查询和检索他们所需的配体信息，并将它们与公共或私人存储库中的其他相关数据相关联。我们的目标不仅是通过收集现有数据并将其集成来创建存储库，而且还要设计和实现一个计算环境，以促进存储库的未来增长。从长远来看，大麻素社区的研究人员应该自己存款数据，并在社区的集体努力中维护数据库。我们的目标还包括为数据库开发灵活、易于使用的查询接口，这对于鼓励社区科学家在日常研究中采用存储库至关重要。此外，我们计划将最新的数据交换技术，XML，到数据库中，使这个数据库的内容变得更便携的第三方计算环境，并成为更免疫未来的变化，以及数据库技术。最终，这一拟议的研究项目将通过开发科学界内外信息交流和数据共享的工具和媒介作出重大贡献。

DESCRIPTION (provided by applicant): Cannabinoids (CB), a class of GPCR-targeted molecules, represent an important family of molecules with large diversity. Their uses are not limited to studying drug abuse but also to designing new drugs for cancer chemotherapy, AIDS, pain relief, muscle spasms, glaucoma, immune suppression, etc. Scientists have synthesized and bio-examined many structurally similar or dissimilar cannabimimetic ligands. Thousands of journal articles have been published regarding CB research and clinical trials. The cannabinoid community is forming its own genre of new scientific research. Unfortunately, due to the traditional method of publicizing research works in paper form, the data related to CB ligands are scattered in archival journals. This makes it very difficult to find, associate and validate reported molecules and reuse the reported research results for further studies. This problem is expected to be much more aggravating in the future as number of the scientists studying the molecules increases many-fold and the size of CB applications grows exponentially. The goal of this proposal is to develop a public repository that includes a majority of published data about cannabinoids in a structured, electronic format. By having such a database, scientists will be able to easily query and retrieve their needed ligand information and, furthermore, associate them with other related data available in public or private repositories. Our goal is not only to create the repository by collecting existing data and integrating them but also to design and implement a computational environment that facilitates the repository's future growth. In the long run, the researchers of the cannabinoid community should deposit the data by themselves and maintain the database in a collective community effort. Our goal also includes developing flexible, easy to use query interfaces for the database that are crucial to encouraging community scientists to adopt the repository for their daily study. In addition, we plan to incorporate the newest data exchange technology, XML, into the database so that the content of this database becomes more portable to third party computational environments and becomes more immune to future changes in database technology, as well. Ultimately, this proposed research project will make a significant contribution by developing a tool and a medium for information exchange and data sharing among the scientific community and beyond.