Prokhorov General Physics Institute of the Russian Academy of Sciences, Moscow 119991, Russian Federation; Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry of the Russian Academy of Sciences, Moscow 117997, Russian Federation.
Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry of the Russian Academy of Sciences, Moscow 117997, Russian Federation.
Spectrochim Acta A Mol Biomol Spectrosc. 2022 Oct 5;278:121276. doi: 10.1016/j.saa.2022.121276. Epub 2022 Apr 20.
The method based on the combination of Raman spectroscopy and principal component analysis (PCA) was applied to the set of peptide and protein toxins from animal venoms and to synthetic analogues of peptides. The study demonstrated the possibility of toxin classification according to their primary and secondary structures based on Raman spectroscopy. The method described here allows discrimination of snake venom three-finger toxins from predatory marine mollusks α-conotoxins. Moreover, PCA of the Raman spectra of toxins revealed differences within the group of three-finger toxins and also within the group of conotoxins, related to their spatial structure. In particular, on the basis of the developed technique it is possible to distinguish the disulfide isomers of the same peptide toxin. The results obtained have been confirmed by bioinformatic methods. So, we have proposed a method for the rapid analysis of newly discovered venom-derived protein or peptide toxins by establishing their similarity with other already studied toxins by referring to a particular class. Taking into account a low specimen consumption by Raman spectroscopy, the proposed method could represent a first step in the study of toxins from rare and/or endangered venomous animals. The ability to distinguish configuration of disulfide bonds allows to synthesize the correct isomer of the toxin.
基于拉曼光谱和主成分分析（PCA）相结合的方法被应用于一组来自动物毒液的肽和蛋白质毒素以及肽的合成类似物。该研究表明，根据它们的一级和二级结构对毒素进行分类的可能性基于拉曼光谱。本文所述的方法允许区分蛇毒三指毒素和掠食性海洋软体动物α-芋螺毒素。此外，毒素的拉曼光谱的 PCA 揭示了三指毒素组和芋螺毒素组内的差异，这些差异与它们的空间结构有关。特别是，基于所开发的技术，可以区分相同肽毒素的二硫键异构体。所得到的结果已经通过生物信息学方法得到了证实。因此，我们提出了一种通过将新发现的毒液衍生蛋白或肽毒素与其他已经研究过的毒素进行比较，来快速分析它们的方法，参考特定的类别。考虑到拉曼光谱对标本消耗的低要求，所提出的方法可以代表研究稀有和/或濒危毒液动物毒素的第一步。区分二硫键构型的能力允许合成毒素的正确异构体。
