彭司华实验室

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Liu Xiaoyu, Zhao Jingying and others published a research paper on coronavirus HKU1 in the JBCB.
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Clarifying real receptor binding site between coronavirus HCoV-HKU1 and 9-O-Ac-Sia based on molecular docking

Abstract: HCoV-HKU1 is a [Formula: see text]-coronavirus with low pathogenicity, which usually leads to respiratory diseases. At present, a controversial issue is that whether the receptor binding site (RBS) of HCoV-HKU1 is located in the N-terminal domain (NTD) or the C-terminal domain (CTD) in the HCoV-HKU1 S protein. To address this issue, we used molecular docking technology to dock the NTD and CTD with 9-oxoacetylated sialic acid (9-O-Ac-Sia), respectively, with the results showing that the RBS of HCoV-HKU1 is located in the NTD (amino acid residues 80-95, 25-32). Our findings clarified the structural basis and molecular mechanism of the HCoV-HKU1 infection, providing important information for the development of therapeutic antibody drugs and the design of vaccines.

About the author: Liu Xiaoyu and Zhao Jingying are the co-first authors of this article. Liu Xiaoyu is a 2018 undergraduate majoring in aquaculture in the School of Fisheries and Life Sciences, and was admitted to a 2022 East China Normal University graduate student in advance. Zhao Jingying is a 2017 grade undergraduate graduate of the School of Fisheries and Life Sciences majoring in biological sciences, and was admitted to the school in advance as a 2021 graduate student of East China Normal University.

Paper link：

Xiaoyu Liu, Jingying Zhao, Sicong Li, Cai Wei, Shihang Wang, Xuanyu Xu, Yin Zheng, Xiangyu Deng, Wenliang Yuan, Xiaomin Zeng, Sihua Peng.Clarifying real receptor binding site between coronavirus HCoV-HKU1 and 9-O-Ac-Sia based on molecular docking. J Bioinform Comput Biol. 2022 Feb;20(1):2150034. doi: 10.1142/S0219720021500347.

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