Structural mass spectrometry: rapid methods for separation and analysis of peptide natural products.
Structural mass spectrometry: rapid methods for separation and analysis of peptide natural products.
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DOI：
10.1021/np200457r
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发表时间：
2012-01-27
影响因子：
5.1
通讯作者：
McLean JA
中科院分区：
文献类型：
--
作者：
Goodwin CR;Fenn LS;Derewacz DK;Bachmann BO;McLean JA
天然产物发现中的一个重大挑战是在复杂生物样品中最初区分离散的次级代谢物以及功能相似的初级代谢细胞组分。一个尚未被充分利用的天然产物的识别和表征的属性是气相碰撞截面，或更一般地说，迁移率-质量相关性。肽类天然产物具有许多区别天然产物的性质，因为它们通常以高度的分子内键合为特征，并且在其他结构修饰中具有延伸和紧凑的构象。本文介绍了一种基于离子迁移率-质谱的快速结构质谱技术，用于比较肽类天然产物与其主要代谢同系物的迁移率-质量相关性。该性质使用离子迁移率-质谱法凭经验确定，应用于线性肽与修饰肽的分析，并用于区分粗微生物提取物中的肽天然产物。利用互补的计算方法来理解初级代谢衍生的线性肽与次级代谢产物环状和修饰的环状物质分离的结构基础。这些发现提供了一个平台，用于增强复杂生物样品中具有不同迁移率-质量比的次级代谢肽的鉴定。
A significant challenge in natural product discovery is the initial discrimination of discrete secondary metabolites alongside functionally similar primary metabolic cellular components within complex biological samples. A property that has yet to be fully exploited for natural product identification and characterization is the gas phase collision cross section, or, more generally, the mobility-mass correlation. Peptide natural products possess many of the properties that distinguish natural products as they are frequently characterized by a high degree of intramolecular bonding, and possess extended and compact conformations among other structural modifications. This report describes a rapid structural mass spectrometry technique based on ion mobility-mass spectrometry for the comparison of peptide natural products to their primary metabolic congeners using mobility-mass correlation. This property is empirically determined using ion mobility-mass spectrometry, applied to the analysis of linear versus modified peptides, and used to discriminate peptide natural products in a crude microbial extract. Complementary computational approaches are utilized to understand the structural basis for the separation of primary metabolism derived linear peptides from secondary metabolite cyclic and modified cyclic species. These findings provide a platform for enhancing the identification of secondary metabolic peptides with distinct mobility-mass ratios within complex biological samples.
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影响因子：
1.8
作者：
McLean, JA;Ruotolo, BT;Russell, DH
通讯作者：
Russell, DH
DOI：
10.1073/pnas.0508452103
发表时间：
2006-01-24
影响因子：
11.1
作者：
Hornak, V;Okur, A;Simmerling, C
通讯作者：
Simmerling, C
影响因子：
--
作者：
Mesleh, MF;Hunter, JM;Jarrold, MF
通讯作者：
Jarrold, MF
DOI：
10.1016/j.jasms.2007.04.003
发表时间：
2007-07-01
影响因子：
3.2
作者：
Tao, Lei;McLean, Janel R.;Russell, David H.
通讯作者：
Russell, David H.
影响因子：
3
作者：
Wang, JM;Wolf, RM;Case, DA
通讯作者：
Case, DA