一个terpenoids数据库,其中的化学含量作为一种新的农学特征
Wenqian Li1,2,3,4, Yinliang Chen5, Ruofei Yang5
1Institute for Medicinal Plants, College of Plant Science and Technology, Huazhong Agricultural University, Wuhan 430070, China.
概括
天然产品的 TerPenoids 数据库 (TPCN) 是第一个包含自然产品化学含量信息的数据库. 该资源有助于发现高含量药物替代品和选择高产药用植物.
科学领域:
- 自然产品化学 自然产品化学
- 化学信息学 化学信息学
- 药物发现 药物发现 药物发现
背景情况:
- 天然产品对于药物发现至关重要,它们的化学丰富性受到遗传学和环境因素的影响.
- 现有的天然产品数据库往往缺乏详细的化学含量信息.
- 了解定量多样性是利用自然产品的关键.
研究的目的:
- 开发第一个包含化学含量信息的TerPenoids数据库 (TPCN).
- 为探索类及其定量性质提供一个全面的资源.
- 促进药物发现和选择高产药用植物.
主要方法:
- 手动搜索文献和分析超过10,000篇参考论文.
- 整合类数据,包括结构,CAS编号和内容描述.
- 开发基于Web的计算工具包,用于数据库访问和分析.
主要成果:
- 在TPCN数据库中,包含了来自1,254种植物的6383种类.
- 包括隔离部件,结构,CAS号和7,508内容描述的详细信息.
- 提供诸如复合浏览,结构和相似性搜索以及支架分析等功能.
结论:
- TPCN数据库强调自然产品的质量和数量方面,作为重要的表型特征.
- 有助于发现具有高含量的替代药物.
- 支持选择高产药用植物,以实现可持续的药物发现.
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