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《天然产物图谱3.0:扩展微生物来源天然产物数据库》

The Natural Products Atlas 3.0: extending the database of microbially derived natural products.

作者信息

Poynton Ella F, van Santen Jeffrey A, Pin Matthew, Contreras Marla Macias, McMann Emily, Parra Jonathan, Showalter Brandon, Zaroubi Liana, Duncan Katherine R, Linington Roger G

机构信息

Department of Chemistry, Simon Fraser University, 8888 University Drive, Burnaby, British Columbia, V5A 1S6, Canada.

Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 161 Cathedral St, Glasgow G4 0RE, UK.

出版信息

Nucleic Acids Res. 2025 Jan 6;53(D1):D691-D699. doi: 10.1093/nar/gkae1093.

Abstract

The Natural Products Atlas is a database of microbially derived natural products that contains structures, producing organism taxonomy, biosynthetic and chemical ontology classifications, grouping by compound classes and cross-links to a suite of other natural product-related data resources. The database is supported by a web server that includes functionality to browse the collection, search the database using both chemical structures and text/numerical terms and visualize the chemical diversity it contains using interactive dashboards. In the current database release, we have curated 1347 papers, increasing the number of compounds to 36 545. In addition, we have initiated a large-scale effort to incorporate data from papers reporting structural reassignments and revisions to previously published structures. This effort led to the incorporation of 590 corrections to existing entries, significantly improving the accuracy of the dataset. The Natural Products Atlas may be accessed at www.npatlas.org.

摘要

《天然产物图谱》是一个微生物来源天然产物的数据库,包含结构、产生生物的分类学、生物合成和化学本体分类、按化合物类别分组以及与一系列其他天然产物相关数据资源的交叉链接。该数据库由一个网络服务器提供支持,该服务器具有浏览馆藏、使用化学结构和文本/数字术语搜索数据库以及使用交互式仪表板可视化其中包含的化学多样性等功能。在当前的数据库版本中,我们整理了1347篇论文,化合物数量增加到36545个。此外,我们已启动一项大规模工作,纳入报告结构重新分配和对先前发表结构进行修订的论文中的数据。这项工作导致对现有条目进行了590处修正,显著提高了数据集的准确性。可通过www.npatlas.org访问《天然产物图谱》。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c770/11701703/9b07eb65b969/gkae1093figgra1.jpg

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