Interactions of proteins with small molecules are not only critical for understanding many biological cellular processes, but also play an important role in modern medicine discovery. However, it is very challenged to determination of protein-ligand (PL) complexes. With the development of modern MS techniques, native mass spectrometry (native MS) has become a powerful tool for accurate characterization of PL complexes with high sensitivity, high speed and stoichiometry information. In this review, we described the latest advances in native MS for analysis of PL complexes. The qualitative and quantitative analysis of native MS of the interaction between proteins and ligands are discussed as well as the structural characterizations of the PL complexes. Finally, the current applications of native MS in drug discovery are presented.

中文翻译：

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用于表征与小分子结合的蛋白质的天然质谱分析及其在药物发现中的应用

蛋白质与小分子的相互作用不仅对于理解许多生物细胞过程至关重要，而且在现代医学发现中发挥着重要作用。然而，蛋白质-配体（PL）复合物的测定非常具有挑战性。随着现代MS技术的发展，原生质谱（native MS）已成为精确表征PL复合物的有力工具，具有高灵敏度、高速度和化学计量信息。在这篇综述中，我们描述了用于分析 PL 复合物的天然 MS 的最新进展。讨论了蛋白质和配体之间相互作用的天然 MS 定性和定量分析以及 PL 复合物的结构特征。最后，介绍了本机质谱在药物发现中的当前应用。