Machine-Readable Structural Information Is Essential for Natural Products Research.

IF 3.6 2区生物学 Q2 CHEMISTRY, MEDICINAL

Journal of Natural Products Pub Date : 2025-10-20 DOI:10.1021/acs.jnatprod.5c00836

Karin Steffen, Nicholas H Oberlies, Antonis Rokas

引用次数: 0

Abstract

Structural drawings of secondary metabolites encapsulate a wealth of information, but their static nature hinders their sharing and reuse. At a time when research increasingly relies on, and benefits from, access to comprehensive natural products "big data", this hindrance is contrary to the norms of science. This Perspective discusses current challenges in sharing and accessing structure data and offers a simple solution, namely, publishing machine-readable text descriptors for new secondary metabolites. Requiring such descriptors will be straightforward to implement for both authors and publishers and will help derive even greater value from the efforts expended to understand the chemistry of Nature.

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机器可读的结构信息对天然产物研究至关重要。

次生代谢物的结构图包含了丰富的信息，但它们的静态特性阻碍了它们的共享和重用。在研究日益依赖并受益于全面的天然产品“大数据”的时代，这种障碍与科学规范背道而驰。本展望讨论了当前共享和访问结构数据的挑战，并提供了一个简单的解决方案，即为新的次级代谢物发布机器可读的文本描述符。对作者和出版商来说，要求这样的描述符将是很容易实现的，并且将有助于从理解自然化学的努力中获得更大的价值。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Natural Products 生物-药学

CiteScore

9.10

自引率

5.90%

发文量

294

审稿时长

2.3 months

期刊介绍： The Journal of Natural Products invites and publishes papers that make substantial and scholarly contributions to the area of natural products research. Contributions may relate to the chemistry and/or biochemistry of naturally occurring compounds or the biology of living systems from which they are obtained. Specifically, there may be articles that describe secondary metabolites of microorganisms, including antibiotics and mycotoxins; physiologically active compounds from terrestrial and marine plants and animals; biochemical studies, including biosynthesis and microbiological transformations; fermentation and plant tissue culture; the isolation, structure elucidation, and chemical synthesis of novel compounds from nature; and the pharmacology of compounds of natural origin. When new compounds are reported, manuscripts describing their biological activity are much preferred. Specifically, there may be articles that describe secondary metabolites of microorganisms, including antibiotics and mycotoxins; physiologically active compounds from terrestrial and marine plants and animals; biochemical studies, including biosynthesis and microbiological transformations; fermentation and plant tissue culture; the isolation, structure elucidation, and chemical synthesis of novel compounds from nature; and the pharmacology of compounds of natural origin.