Bioinformatics Methods for Natural Product Discovery
Bioinformatics Methods for Natural Product Discovery
复制标题
天然产物发现的生物信息学方法
DOI：
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发表时间：
2013
期刊：
影响因子：
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通讯作者：
H. Mohimani
中科院分区：
文献类型：
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作者：
H. Mohimani
在过去的几十年里，大多数作为抗菌剂引入的新化学实体都是从生物体产生的天然产物中衍生出来的。一些最有效的抗生素是肽类天然产物。传统的天然产物发现过程是通过核磁共振等化学分析来阐明感兴趣化合物的结构。这个过程漫长、费力，并且需要大量高度纯化的材料。质谱法的最新进展使人们能够从物质的皮图中发现天然产物。在本文中，我们提出了各种计算技术，以帮助通过计算质谱法发现天然产物
Most of new chemical entities introduced as antibacterials over the last decades are derivated from natural products produced by living organisms. Some of the most effective antibiotics are peptidic natural products. The traditional process of natural products discovery is to elucidate strcuture of the compound of interest by chemical assays such as Nuclear Magnetic Resonance. This process is long, laborious, and requires large amounts of highly purified material. Recent advances in mass spectrometry has enabled natural product discovery from picograms of material. In this thesis we propose various computational techniques to aid natural product discovery by computational mass spectrometry