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De Novo Peptide Sequencing Reveals Many Cyclopeptides in the Human Gut and Other Environments.
Cell Systems ( IF 9.3 ) Pub Date : 2019-12-18 , DOI: 10.1016/j.cels.2019.11.007
Bahar Behsaz 1 , Hosein Mohimani 2 , Alexey Gurevich 3 , Andrey Prjibelski 3 , Mark Fisher 4 , Fernando Vargas 5 , Larry Smarr 6 , Pieter C Dorrestein 7 , Joshua S Mylne 4 , Pavel A Pevzner 8
Affiliation  

Cyclic and branch cyclic peptides (cyclopeptides) represent a class of bioactive natural products that include many antibiotics and anti-tumor compounds. Despite the recent advances in metabolomics analysis, still little is known about the cyclopeptides in the human gut and their possible interactions due to a lack of computational analysis pipelines that are applicable to such compounds. Here, we introduce CycloNovo, an algorithm for automated de novo cyclopeptide analysis and sequencing that employs de Bruijn graphs, the workhorse of DNA sequencing algorithms, to identify cyclopeptides in spectral datasets. CycloNovo reconstructed 32 previously unreported cyclopeptides (to the best of our knowledge) in the human gut and reported over a hundred cyclopeptides in other environments represented by various spectra on Global Natural Products Social Molecular Network (GNPS). https://github.com/bbehsaz/cyclonovo



中文翻译:

De Novo肽测序揭示了人类肠道和其他环境中的许多环肽。

环状和分支环状肽(环肽)代表一类具有生物活性的天然产物,其中包括许多抗生素和抗肿瘤化合物。尽管最近在代谢组学分析方面取得了进展,但由于缺乏适用于此类化合物的计算分析流程,因此对人体肠道中的环肽及其可能的相互作用了解甚少。在这里,我们介绍CycloNovo,这是一种从头开始的自动算法环肽分析和测序使用de Bruijn图(DNA测序算法的主力)来识别光谱数据集中的环肽。CycloNovo(据我们所知)在人类肠道中重建了32种以前未报道的环肽,并在全球天然产物社会分子网络(GNPS)上以各种光谱表示的其他环境中报道了一百多种环肽。https://github.com/bbehsaz/cyclonovo

更新日期:2019-12-18
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