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In addition, heparan sulfate proteoglycans act as the attachment factor to promote the binding of viral spike protein receptor binding domain (RBD) to ACE2 on host cells. Though the rapid development of vaccines has contributed significantly to preventing severe disease, mutated SARS\u2010CoV\u20102 strains, especially the SARS\u2010CoV\u20102 Omicron variant, show increased affinity of RBD binding to ACE2, leading to immune escape. Thus, there is still an unmet need for new antiviral drugs. In this study, we constructed pharmacophore models based on the spike RBD of SARS\u2010CoV\u20102 and SARS\u2010CoV\u20102 Omicron variant and performed virtual screen for best\u2010hit compounds from our disaccharide library. Screening of 96 disaccharide structures identified two disaccharides that displayed higher binding affinity to RBD in comparison to reported small molecule antiviral drugs. Further, screening PharmMapper demonstrated interactions of the disaccharides with a number of inflammatory cytokines, suggesting a potential for disaccharides with multiple\u2010protein targets.<\/jats:p>","DOI":"10.1002\/cbic.202200461","type":"journal-article","created":{"date-parts":[[2022,10,20]],"date-time":"2022-10-20T14:45:02Z","timestamp":1666277102000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Antiviral Disaccharide Lead Compounds against SARS\u2010CoV\u20102\u2009through Computer\u2010Aided High\u2010Throughput Screen"],"prefix":"10.1002","volume":"23","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4058-180X","authenticated-orcid":false,"given":"Binjie","family":"Li","sequence":"first","affiliation":[{"name":"Beijing Advanced Innovation Center for Soft Matter Science and Engineering Beijing University of Chemical Technology  Beijing 100029 P. R. 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