Partial Isotope Profiles Are Sufficient for Protein Turnover Analysis Using Closed-Form Equations of Mass Isotopomer Dynamics,Analytical Chemistry

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Partial Isotope Profiles Are Sufficient for Protein Turnover Analysis Using Closed-Form Equations of Mass Isotopomer Dynamics
Analytical Chemistry ( IF 6.7 ) Pub Date : 2020-10-21 , DOI: 10.1021/acs.analchem.0c03343
Rovshan G Sadygov ₁

Affiliation

Metabolic labeling with atom-based heavy isotopes, followed by liquid chromatography coupled with mass spectrometry (LC–MS), has been a powerful technique for studies of proteome and metabolome. In proteomics, the protein turnover of thousands of proteins can be estimated from the gradual incorporation of ²H or ¹⁵N in the diet. Software tools have been developed to automate the estimation of protein turnover. Traditionally, the turnover has been estimated using the time course of the depletion of the normalized abundance of monoisotopes. While the bioinformatic aspects of peak detection and integration, time course modeling, and uncertainty estimation have progressed, mass isotopomer dynamics during label incorporation has only been modeled from approximate approaches or numerical simulations. We derive closed-form equations that describe the dynamics of mass isotopomers during metabolic labeling with an atom-based stable isotope. The derived equations create an alternative method for estimating label incorporation. They also provide opportunities for estimation of precursor–product relationships in species or systems where they are unknown. The equations are useful in bioinformatic tools for analyzing mass spectral data from metabolic labeling.

中文翻译：

使用质量同位素动力学的闭合形式方程进行蛋白质周转分析的部分同位素谱已足够

使用基于原子的重同位素进行代谢标记，然后进行液相色谱与质谱联用 (LC-MS)，已成为研究蛋白质组和代谢组的有力技术。在蛋白质组学中，数千种蛋白质的蛋白质转换可以通过逐渐掺入² H 或^15来估计饮食中的 N。已经开发了软件工具来自动估计蛋白质周转率。传统上，周转率是使用单同位素标准化丰度耗尽的时间过程来估计的。虽然峰值检测和整合、时间过程建模和不确定性估计的生物信息学方面取得了进展，但标签掺入过程中的质量同位素动力学仅通过近似方法或数值模拟进行建模。我们推导出了描述在用基于原子的稳定同位素进行代谢标记期间质量同位素体的动力学的封闭式方程。导出的方程创建了一种用于估计标签结合的替代方法。它们还为估计未知物种或系统中的前体-产物关系提供了机会。

更新日期：2020-11-03

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