EMNPD:一个全面的内菌微生物天然产品数据库,用于快速发现新的生物活性物质
Hong-Quan Xu1, Huan Xiao1, Jin-Hui Bu1
1Key Laboratory of Elemene Class Anti-cancer Chinese Medicines, School of Pharmacy, Hangzhou Normal University, Hangzhou, 311121, China.
Journal of cheminformatics
|November 29, 2023
概括
一个新的数据库,EMNPD,已经启动,以巩固来自内菌微生物的天然产品. 这种开放访问资源通过提供有关化合物及其生物活性的精选数据来帮助研究人员发现药物.
科学领域:
- 微生物学 微生物学
- 药理学 药理学是指药理学的学科.
- 生物信息学是一种生物信息学.
背景情况:
- 内生菌微生物是用于制药研究的新型天然产品的丰富来源.
- 关于这些天然产品的现有数据是分散的,阻碍了高效的研究和药物发现.
- 需要一个集中式的,开放的访问平台,用于内菌微生物天然产品数据.
研究的目的:
- 开发和引入EMNPD,一个全面的,手工策划的,对内菌微生物天然产品的开放访问数据库.
- 为了促进数据挖掘,共享和利用药物发现和生物活性物质探索.
- 为该领域的研究人员提供一个集中的知识库.
主要方法:
- 从科学文献中手动整理数据.
- 整合物理化学性质,ADMET信息和生物活性数据.
- 包括发酵条件,分类学信息和链接到外部数据库.
主要成果:
- EMNPD 含有来自 1,017 种内生菌微生物的 6,632 种天然产品.
- 该数据库涵盖1286个目标实体 (蛋白质,细胞系,物种) 和91个生物活性.
- 数据包括详细的化合物特性,生物活性和发酵参数.
结论:
- EMNPD 作为一个有价值的开放访问资源,用于内菌微生物天然产品研究.
- 该数据库支持和加速药物发现和新生物活性化合物的探索.
- 在http://emnpd.idrblab.cn/访问,EMNPD鼓励数据共享和协作.
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