A rapid and facile method for the dereplication of purified natural products
A rapid and facile method for the dereplication of purified natural products
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DOI：
10.1021/np010284g
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发表时间：
2001-12-01
影响因子：
5.1
通讯作者：
Sidebottom, PJ
中科院分区：
文献类型：
--
作者：
Bradshaw, J;Butina, D;Sidebottom, PJ
已经开发出一种使用商业数据库来消除纯化天然产物的新方法。这是基于搜索一个文本文件，该文件将每个结构与其分子量以及其包含的甲基、亚甲基和次甲基的数量链接起来。对这样一个由包含超过 126,000 个天然产物结构的数据库构建的文本文件进行分析表明，这些数据很容易使用 MS 和 NMR 光谱进行测量，具有很强的辨别力。描述了使用这种新方法鉴定生物碱和倍半萜。
A new approach to the use of commercial databases for the dereplication of purified natural products has been developed. This is based on searching a text file that links each structure with its molecular weight and an exact count of the number of methyl, methylene, and methine groups it contains. Analysis of such a text file, constructed from a database containing more than 126 000 natural product structures, revealed that these data, readily measured using MS and NMR spectroscopy, are highly discriminating. The identification of an alkaloid and a sesquiterpene using this new approach is described.