一个两阶段的代谢基因精炼管道,用于发现天然产品
Ran Zhang1,2, Beilun Wang3, Chang Wang1
1Department of Gastroenterology of the Second Affiliated Hospital and Institute of Pharmaceutical Biotechnology, Zhejiang University School of Medicine, Hangzhou, 310000, China.
Synthetic and systems biotechnology
|March 19, 2025
概括
一个新的计算管道,NP-PRESS,有效地区分自然产品 (NP) 信号与复杂的微生物代谢组. 该方法通过消除干扰信号,减少研究错误,帮助识别有价值的药物化合物.
科学领域:
- 代谢学和自然产品发现
背景情况:
- 自然产品 (NPs) 是复杂的生物代谢中发现的关键药物资源.
- 质谱 (MS) 信号的NP经常被无生物和生物过程的干扰特征所掩盖.
- 目前的方法缺乏NP信号和生物干扰之间的有效区分,导致研究效率低下.
研究的目的:
- 引入NP-PRESS,这是一个计算管道,旨在从代谢数据中删除无关的化学物质.
- 使用新的MS1和MS2数据分析算法优先考虑天然产品信号.
- 为了减少代谢组分析的复杂性,并最大限度地降低错误的化合物分离的风险.
主要方法:
- 开发NP-PRESS,一个集成两个新算法的管道:FUNEL用于MS1数据和simRank用于MS2数据分析.
- 使用NP-PRESS分析各种微生物的代谢组,包括*Streptomyces albus* J1074和*Wukongibacter baidiensis* M2B1.1.
- 管道在区分NP信号与复杂生物干扰方面的有效性验证.
主要成果:
- NP-PRESS成功地促进了从*Streptomyces albus*中识别新的surgamide类似物.
- 对*Wukongibacter baidiensis*的应用导致发现了baidienmycins,这是一个具有强大的生物活性的新型depsipeptide家族.
- 该管道在发现具有复杂代谢组的微生物的NP方面表现出很高的有效性,包括极端动物.
结论:
- NP-PRESS是一种有效的工具,可以去除无关的化学特征,特别是生物过程中产生的化学特征.
- 该管道有助于从复杂的微生物样本中识别和优先考虑天然产品.
- NP-PRESS提高了新生物活性化合物的发现,展示了其在天然产品研究中的实用性.
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