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CleaveScope――一种简单的工具,用于从LC-MS/MS数据中进行蛋白酶特异性分析

Mihail Konstantinov¹, Ilya Toropygin¹

¹Institute of Biomedical Chemistry, 10 Building 8, Pogodinskaya Street, 119121 Moscow, Russia.

Analytical chemistry

|February 18, 2026

概括

CleaveScope是一个新的软件工具,用于分析LC-MS/MS数据中的蛋白酶特异性. 它自动化了切割部位分析,并可视化了氨基酸偏好,有助于理解酶活性.

科学领域:

蛋白质组学是指蛋白质组学.
生物信息学是一种生物信息学.
酶学是一种酶学.

背景情况:

蛋白酶特异性分析对于理解酶功能至关重要.
分析蛋白酶特异性的现有方法可能是耗时和复杂的.
高通量蛋白质组数据,如LC-MS/MS,为特异性分析提供了丰富的来源.

研究的目的:

推出CleaveScope,一种用于快速灵活分析蛋白酶特异性的新型软件工具.
为了使氨基酸残留在裂变部位周围的自动提取,对齐和频率矩阵生成.
为了提供统计学上显著的残留模式的可靠可视化,用于蛋白酶活动概况.

主要方法:

开发了一个名为CleaveScope的轻量级独立软件工具.
来自Mascot搜索引擎的XML输出文件的输入处理.
从LC-MS/MS数据中自动提取和对准裂纹部位.
实施各种规范化策略 (直接,百分比差异,Z分数).
为结果可视化生成可定制的热图和序列标志.

主要成果:

CleaveScope成功地自动化了蛋白酶特异性的分析.
该软件生成频率矩阵和可视化 (热图,序列标志) 的氨基酸偏好围绕剪切键.
规范化策略允许对统计学上显著的残留模式进行可靠的检测.
该工具提供了一个灵活的平台,用于使用LC-MS/MS数据分析蛋白酶特异性.

结论:

克利夫斯科普为蛋白酶特异性分析提供了一种高效且易于使用的解决方案.
该软件有助于更深入地了解酶机制和基质识别.
在GitHub上免费使用,CleaveScope促进了蛋白质组研究的可访问性.

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