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CDIS V1.0:一个非目标的循环二的快速识别程序

Rongrong Han¹, Boyan Ma¹, Xingkang Wu¹

¹Modern Research Center for Traditional Chinese Medicine, Shanxi University, Taiyuan 030006, China; Key Laboratory of Chemical Biology and Molecular Engineering of Ministry of Education, Shanxi University, Taiyuan 030006, China.

Journal of chromatography. A

|September 27, 2025

概括

一个新的程序,循环二鉴定系统V1.0 (CDIS V1.0),使用质谱和Python.快速识别循环二. 这种工具发现了18种新的天然循环二,有助于研究它们的药理活动.

科学领域:

生物化学和生物信息学
自然产品化学自然产品化学
药理学药理学是指药理学的学科.

背景情况:

循环 dipeptides 是六个成员的循环化合物,具有不同的药理活动.
手动识别循环二是具有挑战性的,因为复杂性和时间要求.
现有的方法在识别新型循环二上缺乏效率.

研究的目的:

开发一种快速有效的程序来识别循环二.
为了分析生和加工的鹿角和中的循环二化合物组成.
发现新的天然循环二和了解加工的影响.

主要方法:

使用Python编程开发循环二鉴定系统V1.0 (CDIS V1.0).使用Python编程.
集成质谱分析与多层次选和匹配算法对特征片离子.
在原始鹿角,用加工的鹿角和中分析循环二形状.

主要成果:

CDIS V1.0 程序可以在几秒钟内快速识别循环二.
在原始鹿角,用加工的鹿角和中分别确定了13,45,50种天然循环二.
发现了18种新的天然循环二,包括5种新型含素的循环二.

结论:

CDIS V1.0 程序显著提高了循环二鉴定的效率.
加工会改变循环二的组成,这表明中国草药中的疗效调节.
开发的系统有助于发现新型循环二,并支持进一步研究它们的生物活性.

关键词:

循环二化物循环二化物鹿角大是什么意思鹿角大是什么意思在这里,Python是Python.快速识别快速识别快速识别

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Peptide Identification Using Tandem Mass Spectrometry

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