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| Glycan Epitopes and Potential Glycoside Antagonists of DC-SIGN Involved in COVID-19: In Silico Study | |
| 2021-11 | |
| Source Publication | BIOMOLECULES
 |
| ISSN | 2218-273X |
| EISSN | 2218-273X |
| Volume | 11Issue:11 |
| Status | 已发表 |
| DOI | 10.3390/biom11111586 |
| Abstract | Glycosylation is an important post-translational modification that affects a wide variety of physiological functions. DC-SIGN (Dendritic Cell-Specific Intercellular adhesion molecule-3-Grabbing Non-integrin) is a protein expressed in antigen-presenting cells that recognizes a variety of glycan epitopes. Until now, the binding of DC-SIGN to SARS-CoV-2 Spike glycoprotein has been reported in various articles and is regarded to be a factor in systemic infection and cytokine storm. The mechanism of DC-SIGN recognition offers an alternative method for discovering new medication for COVID-19 treatment. Here, we discovered three potential pockets that hold different glycan epitopes by performing molecular dynamics simulations of previously reported oligosaccharides. The EPN motif, NDD motif, and Glu354 form the most critical pocket, which is known as the Core site. We proposed that the type of glycan epitopes, rather than the precise amino acid sequence, determines the recognition. Furthermore, we deduced that oligosaccharides could occupy an additional site, which adds to their higher affinity than monosaccharides. Based on our findings and previously described glycoforms on the SARS-CoV-2 Spike, we predicted the potential glycan epitopes for DC-SIGN. It suggested that glycan epitopes could be recognized at multiple sites, not just Asn234, Asn149 and Asn343. Subsequently, we found that Saikosaponin A and Liquiritin, two plant glycosides, were promising DC-SIGN antagonists in silico. |
| Keyword | DC-SIGN glycan epitopes carbohydrate recognition mechanism natural glycoside antagonists molecular dynamics simulations COVID-19 natural glycoside an tagonists |
| Subject Area | 药物化学 |
| MOST Discipline Catalogue | 理学::生物学 ; 医学::药学（可授医学、理学学位） |
| URL | 查看原文 |
| Indexed By | SCIE ; SCI |
| Language | 英语 |
| WOS Research Area | Biochemistry & Molecular Biology |
| WOS Subject | Biochemistry & Molecular Biology |
| WOS ID | WOS:000724031000001 |
| Publisher | MDPI |
| Original Document Type | Article |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/134175 |
| Collection | iHuman研究所_PI研究组_Garth John Thompson组 免疫化学研究所_特聘教授组_蒋华良组 |
| Corresponding Author | Yu, Kunqian |
| Affiliation | 1.Nanjing Univ Chinese Med, Sch Chinese Mat Med, Nanjing 210023, Peoples R China; 2.Chinese Acad Sci, Shanghai Inst Mat Med, Drug Discovery & Design Ctr, State Key Lab Drug Res, Shanghai 200031, Peoples R China; 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China; 4.ShanghaiTech Univ, Sch Life Sci & Technol, Shanghai Inst Adv Immunochem Studies, Shanghai 200031, Peoples R China; 5.Shantou Univ, Dept Chem, Shantou 515063, Peoples R China |
| Recommended Citation GB/T 7714 | Gao, Meina,Li, Hui,Ye, Chenghao,et al. Glycan Epitopes and Potential Glycoside Antagonists of DC-SIGN Involved in COVID-19: In Silico Study[J]. BIOMOLECULES,2021,11(11). |
| APA | Gao, Meina,Li, Hui,Ye, Chenghao,Chen, Kaixian,Jiang, Hualiang,&Yu, Kunqian.(2021).Glycan Epitopes and Potential Glycoside Antagonists of DC-SIGN Involved in COVID-19: In Silico Study.BIOMOLECULES,11(11). |
| MLA | Gao, Meina,et al."Glycan Epitopes and Potential Glycoside Antagonists of DC-SIGN Involved in COVID-19: In Silico Study".BIOMOLECULES 11.11(2021). |
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