Glycomol: A pervasive tool for structure predication of natural saponin products basing on MS data

Daotong Zhao; Chunguo Wang; Hanyun Qu; Qinling Rao; Bingqing Shen; Yinan Jiang; Jiayu Gong; Yumiao Wang; Di Geng; Rui Hong; Tao Lu; Qing Ni; Xinqi Deng

doi:10.1016/j.jpha.2023.11.004

Volume 14 Issue 7

Jul. 2024

Turn off MathJax

Article Contents

Article Navigation > Journal of Pharmaceutical Analysis > 2024 > 14(7): 100897

Daotong Zhao, Chunguo Wang, Hanyun Qu, Qinling Rao, Bingqing Shen, Yinan Jiang, Jiayu Gong, Yumiao Wang, Di Geng, Rui Hong, Tao Lu, Qing Ni, Xinqi Deng. Glycomol: A pervasive tool for structure predication of natural saponin products basing on MS data[J]. Journal of Pharmaceutical Analysis, 2024, 14(7): 100897. doi: 10.1016/j.jpha.2023.11.004

Citation:

Daotong Zhao, Chunguo Wang, Hanyun Qu, Qinling Rao, Bingqing Shen, Yinan Jiang, Jiayu Gong, Yumiao Wang, Di Geng, Rui Hong, Tao Lu, Qing Ni, Xinqi Deng. Glycomol: A pervasive tool for structure predication of natural saponin products basing on MS data[J]. Journal of Pharmaceutical Analysis, 2024, 14(7): 100897. doi: 10.1016/j.jpha.2023.11.004

Citation:

Daotong Zhao, Chunguo Wang, Hanyun Qu, Qinling Rao, Bingqing Shen, Yinan Jiang, Jiayu Gong, Yumiao Wang, Di Geng, Rui Hong, Tao Lu, Qing Ni, Xinqi Deng. Glycomol: A pervasive tool for structure predication of natural saponin products basing on MS data[J]. Journal of Pharmaceutical Analysis, 2024, 14(7): 100897. doi: 10.1016/j.jpha.2023.11.004

PDF( 1304 KB)

Glycomol: A pervasive tool for structure predication of natural saponin products basing on MS data

doi: 10.1016/j.jpha.2023.11.004

a. Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, 100700, China;
b. School of Life Sciences, Beijing University of Chinese Medicine, Beijing, 100029, China;
c. School of Chinese Materia Medica, Beijing University of Chinese Medicine, Beijing, 100029, China;
d. Beijing Research Institute of Chinese Medicine, Beijing University of Chinese Medicine, Beijing, 100029, China;
e. Guang'anmen Hospital, China Academy of Chinese Medical Sciences, Beijing, 100053, China;
f. Xi'an Jiaotong-Liverpool University, Suzhou, Jiangsu, 215123, China

Funds:

This research was funded by the National Natural Science Foundation of China (Grant Nos.: 82374076, and 82174354), National Key R&D Program of China (Grant No.: 2023YFC3504100), Natural Science Foundation of Beijing (Grant No.: 7244493), NSFC Cultivating Project of Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences (Grant No.: ZXKT23003), Young Elite Cultivating Project of Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences (Grant No.: ZZ17-YQ-023), and Start-up Fund for New Scientific Researchers of China Academy of Chinese Medical Sciences (Grant No.: ZZ16-XRZ-071).

Received Date: Jul. 06, 2023
Accepted Date: Nov. 15, 2023
Rev Recd Date: Oct. 23, 2023
Publish Date: Nov. 28, 2023

Abstract

FullText(HTML)

References(4)

References

[1]	J. Cai, A. Jozwiak, L. Holoidovsky, et al., Glycosylation of N-hydroxy-pipecolic acid equilibrates between systemic acquired resistance response and plant growth, Mol. Plant 14 (2021) 440-455 https://doi.org/10.1016/j.molp.2020.12.018.
[2]	X. Domingo-Almenara, C. Guijas, E. Billings, et al., The METLIN small molecule dataset for machine learning-based retention time prediction, Nat. Commun. 10 (2019) 5811 https://doi.org/10.1038/s41467-019-13680-7.
[3]	J. Xue, C. Guijas, H.P. Benton, et al., METLIN MS(2) molecular standards database: a broad chemical and biological resource, Nat. Methods 17 (2020) 953-954 https://doi.org/10.1038/s41592-020-0942-5.
[4]	J. Shen, L. Jia, L. Dang, et al., StrucGP: de novo structural sequencing of site-specific N-glycan on glycoproteins using a modularization strategy, Nat. Methods 18 (2021) 921-929 https://doi.org/10.1038/s41592-021-01209-0.