HepParser: An Intelligent Software Program for Deciphering Low-Molecular-Weight Heparin Based on Mass Spectrometry
文献类型：期刊论文
| 作者 | Wang, Hui1,2; Wang, Yu1,2; Hou, Meijie1,2; Zhang, Chunming1,3; Wang, Yaojun4; Guo, Zhendong2,5; Bu, Dongbo1,2; Li, Yan2,5; Huang, Chuncui2,5; Sun, Shiwei1,2 |
| 刊名 | FRONTIERS IN CHEMISTRY
 |
| 出版日期 | 2021-09-09 |
| 卷号 | 9页码:13 |
| ISSN号 | 2296-2646 |
| 关键词 | LMWHs mass spectrometry glycosaminoglycans isotopic distribution computational method |
| DOI | 10.3389/fchem.2021.723149 |
| 英文摘要 | 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. |
| 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 |
| 语种 | 英语 |
| 出版者 | FRONTIERS MEDIA SA |
| WOS记录号 | WOS:000698650800001 |
| 源URL | [http://119.78.100.204/handle/2XEOYT63/17220]  |
| 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. |
入库方式： OAI收割
来源：计算技术研究所
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