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MetabFlow:对于外源性自然产品的综合代谢地图

Sisi Zhu¹, Lin Chen¹, Xiuwen Li¹

¹Key Laboratory of Elemene Class Anti-cancer Chinese Medicines, School of Pharmacy, Hangzhou Normal University, Hangzhou 311121, China.

Nucleic acids research

|November 28, 2025

概括

MetabFlow是一个新的数据库,它绘制了自然产品 (NP) 在身体和肠道中的复杂代谢转化. 它整合了7294种反应,有助于药物发现和理解NP代谢.

科学领域:

药理学和天然产品化学
代谢学和生物信息学

背景情况:

外源性自然产品 (NP) 通过宿主酶和肠道微生物群经历复杂的代谢转化,产生各种代谢物.
由于NP及其代谢途径的复杂性,目前对NP代谢机制的理解是分散的.
现有的NP代谢数据不足以进行系统分析和知识整合.

研究的目的:

开发一个全面的数据库,MetabFlow,用于系统地分析外部天然产品的新陈代谢.
创建一个统一的知识地图的体内和体外NP代谢转化.
支持自然产品代谢,药物发现和相关领域的研究.

主要方法:

系统整合7294个精选的代谢反应,用于体内和体外NP转化.
对酶催化和微生物介导反应的综合分析,以捕捉独特的NP代谢特征.
构建一个结构化的代谢网络,详细说明上下游反应关系.
包含大约3200个不在主流数据库中的化合物,并提供全面的注释.

主要成果:

通过综合反应数据建立了对外NP代谢的完整知识地图.
通过结合宿主酶和肠道微生物群通路,突出了NP的独特代谢特征.
通过结构化的网络,通过不同的代谢途径阐明了外源性NP的演变.
提供了新型化合物的详细信息,增强了NP代谢研究的范围.

结论:

MetabFlow为了解外源NP代谢提供了一个全面的资源.
该数据库促进了对NP代谢机制和途径的系统研究.
MetabFlow是推动药物发现和相关科学努力的宝贵工具.

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