HepParser: An Intelligent Software Program for Deciphering Low-Molecular-Weight Heparin Based on Mass Spectrometry

doi:10.3389/fchem.2021.723149

	HepParser: An Intelligent Software Program for Deciphering Low-Molecular-Weight Heparin Based on Mass Spectrometry
	Wang, Hui 1,2; Wang, Yu 1,2; Hou, Meijie 1,2; Zhang, Chunming 1,3; Wang, Yaojun 4; Guo, Zhendong 2,5; Bu, Dongbo 1,2; Li, Yan 2,5; Huang, Chuncui 2,5; Sun, Shiwei 1,2
	2021-09-09
发表期刊	FRONTIERS IN CHEMISTRY
ISSN	2296-2646
卷号	9 页码:13
摘要	Low-molecular-weight heparins (LMWHs) are considered to be the most successful carbohydrate-based drugs because of their wide use as anticoagulants in clinics. The efficacy of anticoagulants made by LMWHs mainly depends on the components and structures of LMWHs. Therefore, deciphering the components and identifying the structures of LMWHs are critical to developing high-efficiency anticoagulants. However, most LMWHs are mixtures of linear polysaccharides which are comprised of several disaccharide repeating units with high similarity, making it extremely challenging to separate and decipher each component in LMWHs. Here, we present a new algorithm named hepParser to decipher the main components of LMWHs automatically and precisely based on the liquid chromatography/mass spectrometry (LC/MS) data. When tested on the general LMWH using hepParser, profiling of the oligosaccharides with different degrees of polymerization (dp's) was completed with high accuracy within 1 minute. When compared with the results of GlycReSoft on heparan sulfate samples, hepParser achieved more comprehensive and reasonable results automatically.
关键词	LMWHs mass spectrometry glycosaminoglycans isotopic distribution computational method
DOI	10.3389/fchem.2021.723149
收录类别	SCI
语种	英语
资助项目	National Key Research and Development Program of China[2018YFC0910405] ; National Key Research and Development Program of China[2020YFA0907000] ; National Natural Science Foundation of China[62072435] ; National Natural Science Foundation of China[31671369] ; National Natural Science Foundation of China[31770775] ; Biological Resources Programme, Chinese Academy of Sciences[KFJ-BRP-017-76]
WOS研究方向	Chemistry
WOS类目	Chemistry, Multidisciplinary
WOS记录号	WOS:000698650800001
出版者	FRONTIERS MEDIA SA
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://119.78.100.204/handle/2XEOYT63/17221
专题	中国科学院计算技术研究所期刊论文_英文
通讯作者	Huang, Chuncui; Sun, Shiwei
作者单位	1.Chinese Acad Sci, Big Data Acad, Inst Comp Technol, Key Lab Intelligent Informat Proc,State Key Lab C, Beijing, Peoples R China 2.Univ Chinese Acad Sci, Beijing, Peoples R China 3.Phil Rivers Technol, Beijing, Peoples R China 4.China Agr Univ, Coll Informat & Elect Engn, Beijing, Peoples R China 5.Chinese Acad Sci, Inst Biophys, Beijing, Peoples R China
推荐引用方式 GB/T 7714	Wang, Hui,Wang, Yu,Hou, Meijie,et al. HepParser: An Intelligent Software Program for Deciphering Low-Molecular-Weight Heparin Based on Mass Spectrometry[J]. FRONTIERS IN CHEMISTRY,2021,9:13.
APA	Wang, Hui.,Wang, Yu.,Hou, Meijie.,Zhang, Chunming.,Wang, Yaojun.,...&Sun, Shiwei.(2021).HepParser: An Intelligent Software Program for Deciphering Low-Molecular-Weight Heparin Based on Mass Spectrometry.FRONTIERS IN CHEMISTRY,9,13.
MLA	Wang, Hui,et al."HepParser: An Intelligent Software Program for Deciphering Low-Molecular-Weight Heparin Based on Mass Spectrometry".FRONTIERS IN CHEMISTRY 9(2021):13.