METHOD FOR DISTINGUISHING GLYCAN STRUCTURAL ISOMER BY REPLACING SIMILAR MASS ISOTOPE THROUGH COMPUTER SIMULATION

WIPO Patent Application WO/2024/083187

A1

Disclosed is a method for distinguishing a glycan structural isomer by replacing a similar mass isotope through computer simulation. The method uses computer simulation to replace with a similar mass isotope an isotope in a structural isomer of a glycan isomer to be quantified, obtaining a simulated glycan isomer having a finely-adjusted changed chemical formula and mass (the mass difference being less than 0.2Da); furthermore, mass spectrum data can be used for quantifying the structural isomer obtained following simulation. Experiments have proven that the method established by the present invention allows for distinguishing and quantifying structural isomers of glycan isomers in 1218 glycopeptides identified in the serum of liver cancer patients and the serum of healthy individuals, with the final glycopeptides having no missing values, and obtaining 315 glycopeptides where the change between the serum of the liver cancer patients and the healthy individuals is greater than 2.5 times. Therefore, the method established by the present invention can effectively distinguish between different glycopeptide linked sugar isomers, and accurately and with no missing values quantify and analyze differences between identified glycopeptides.

ZHU YIYING (CN)

PCT/CN2023/125412

April 25, 2024

October 19, 2023

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UNIV TSINGHUA (CN)

G16B15/20; G16B40/10

CN115662500A	2023-01-31
CN107250797A	2017-10-13
CN111220749A	2020-06-02
CN104034792A	2014-09-10
CN110261500A	2019-09-20
CN112017734A	2020-12-01
US20130041592A1	2013-02-14

JEEKAI & PARTNERS (CN)

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