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严重急性呼吸综合征冠状病毒S1蛋白的三维结构分析揭示了其与流感病毒神经氨酸酶的联系以及对药物和抗体发现的启示。

The 3D structure analysis of SARS-CoV S1 protein reveals a link to influenza virus neuraminidase and implications for drug and antibody discovery.

作者信息

Zhang Xue Wu, Yap Yee Leng

机构信息

Hong Kong University-Pasteur Research Centre, Dexter H.C. Man Building, 8 Sassoon Road, Pokfulam, HongKong, China.

出版信息

Theochem. 2004 Jul 26;681(1):137-141. doi: 10.1016/j.theochem.2004.04.065. Epub 2004 Jul 9.

DOI:10.1016/j.theochem.2004.04.065
PMID:32287547
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7126208/
Abstract

The spike protein of SARS-associated coronavirus (SARS-CoV) is an important target for anti-SARS drug discovery. Its S1 domain is responsible for receptor binding and SARS-CoV entry into cells. In this study, we constructed a rational 3D model for S1 domain of SARS-CoV spike protein by fold recognition and molecular modeling techniques. We found that there is a structure similarity between S1 protein and influenza virus neuraminidase. Our analyses suggest that the existing anti-influenza virus inhibitors and anti-neuraminidase antibody could be used as a starting point for designing anti-SARS drugs, vaccines and antibodies. Interestingly, our prediction for antibody is consistent with a recently experimental discovery of anti-SARS antibody.

摘要

严重急性呼吸综合征相关冠状病毒（SARS-CoV）的刺突蛋白是抗SARS药物研发的重要靶点。其S1结构域负责受体结合以及SARS-CoV进入细胞。在本研究中，我们通过折叠识别和分子建模技术构建了SARS-CoV刺突蛋白S1结构域的合理三维模型。我们发现S1蛋白与流感病毒神经氨酸酶之间存在结构相似性。我们的分析表明，现有的抗流感病毒抑制剂和抗神经氨酸酶抗体可作为设计抗SARS药物、疫苗和抗体的起点。有趣的是，我们对抗体的预测与最近抗SARS抗体的实验发现一致。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/b1cae25a76a7/gr8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/882038cb8122/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/e1f5457b8109/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/f4209c7789ad/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/f56e610147ee/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/05545bf1884b/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/5bb42cd33ef0/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/7301bae6e156/gr7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/b1cae25a76a7/gr8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/882038cb8122/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/e1f5457b8109/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/f4209c7789ad/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/f56e610147ee/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/05545bf1884b/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/5bb42cd33ef0/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/7301bae6e156/gr7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e574/7126208/b1cae25a76a7/gr8.jpg

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