{"id":"https://openalex.org/W3093434265","doi":"https://doi.org/10.1093/bib/bbaa260","title":"MCCS: a novel recognition pattern-based method for fast track discovery of anti-SARS-CoV-2 drugs","display_name":"MCCS: a novel recognition pattern-based method for fast track discovery of anti-SARS-CoV-2 drugs","publication_year":2020,"publication_date":"2020-09-14","ids":{"openalex":"https://openalex.org/W3093434265","doi":"https://doi.org/10.1093/bib/bbaa260","mag":"3093434265","pmid":"https://pubmed.ncbi.nlm.nih.gov/33078827"},"language":"en","primary_location":{"id":"doi:10.1093/bib/bbaa260","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbaa260","pdf_url":"https://academic.oup.com/bib/article-pdf/22/2/946/36655239/bbaa260.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://academic.oup.com/bib/article-pdf/22/2/946/36655239/bbaa260.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5076924374","display_name":"Zhiwei Feng","orcid":"https://orcid.org/0000-0001-6533-8932"},"institutions":[{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Zhiwei Feng","raw_affiliation_strings":["University of Pittsburgh"],"affiliations":[{"raw_affiliation_string":"University of Pittsburgh","institution_ids":["https://openalex.org/I170201317"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078781198","display_name":"Maozi Chen","orcid":"https://orcid.org/0000-0002-0763-6963"},"institutions":[{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Maozi Chen","raw_affiliation_strings":["University of Pittsburgh"],"affiliations":[{"raw_affiliation_string":"University of Pittsburgh","institution_ids":["https://openalex.org/I170201317"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100399511","display_name":"Ying Xue","orcid":"https://orcid.org/0000-0002-3053-5837"},"institutions":[{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ying Xue","raw_affiliation_strings":["University of Pittsburgh"],"affiliations":[{"raw_affiliation_string":"University of Pittsburgh","institution_ids":["https://openalex.org/I170201317"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065118063","display_name":"Tianjian Liang","orcid":null},"institutions":[{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Tianjian Liang","raw_affiliation_strings":["University of Pittsburgh"],"affiliations":[{"raw_affiliation_string":"University of Pittsburgh","institution_ids":["https://openalex.org/I170201317"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100334127","display_name":"Hui Chen","orcid":"https://orcid.org/0000-0001-5462-8029"},"institutions":[{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Hui Chen","raw_affiliation_strings":["University of Pittsburgh"],"affiliations":[{"raw_affiliation_string":"University of Pittsburgh","institution_ids":["https://openalex.org/I170201317"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109049058","display_name":"Yuehan Zhou","orcid":null},"institutions":[{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yuehan Zhou","raw_affiliation_strings":["University of Pittsburgh"],"affiliations":[{"raw_affiliation_string":"University of Pittsburgh","institution_ids":["https://openalex.org/I170201317"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040217042","display_name":"Thomas D. Nolin","orcid":"https://orcid.org/0000-0003-4339-1382"},"institutions":[{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Thomas D Nolin","raw_affiliation_strings":["University of Pittsburgh"],"affiliations":[{"raw_affiliation_string":"University of Pittsburgh","institution_ids":["https://openalex.org/I170201317"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030876540","display_name":"Randall B. Smith","orcid":"https://orcid.org/0000-0003-4262-4279"},"institutions":[{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Randall B Smith","raw_affiliation_strings":["University of Pittsburgh"],"affiliations":[{"raw_affiliation_string":"University of Pittsburgh","institution_ids":["https://openalex.org/I170201317"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5028011485","display_name":"Xiang\u2010Qun Xie","orcid":"https://orcid.org/0000-0002-6881-6175"},"institutions":[{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Xiang-Qun Xie","raw_affiliation_strings":["University of Pittsburgh"],"affiliations":[{"raw_affiliation_string":"University of Pittsburgh","institution_ids":["https://openalex.org/I170201317"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5028011485","https://openalex.org/A5076924374"],"corresponding_institution_ids":["https://openalex.org/I170201317"],"apc_list":{"value":4011,"currency":"USD","value_usd":4011},"apc_paid":null,"fwci":3.7541,"has_fulltext":true,"cited_by_count":31,"citation_normalized_percentile":{"value":0.94501569,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":97,"max":99},"biblio":{"volume":"22","issue":"2","first_page":"946","last_page":"962"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10118","display_name":"SARS-CoV-2 and COVID-19 Research","score":0.9868000149726868,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10041","display_name":"COVID-19 Clinical Research Studies","score":0.9829000234603882,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5993021726608276},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.545656681060791},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.5324581265449524},{"id":"https://openalex.org/keywords/drug-repositioning","display_name":"Drug repositioning","score":0.527652382850647},{"id":"https://openalex.org/keywords/lopinavir","display_name":"Lopinavir","score":0.5168941020965576},{"id":"https://openalex.org/keywords/coronavirus-disease-2019","display_name":"Coronavirus disease 2019 (COVID-19)","score":0.5054407119750977},{"id":"https://openalex.org/keywords/severe-acute-respiratory-syndrome-coronavirus-2","display_name":"Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)","score":0.48683756589889526},{"id":"https://openalex.org/keywords/sofosbuvir","display_name":"Sofosbuvir","score":0.4737587571144104},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.46848973631858826},{"id":"https://openalex.org/keywords/simeprevir","display_name":"Simeprevir","score":0.4444034695625305},{"id":"https://openalex.org/keywords/coronavirus","display_name":"Coronavirus","score":0.4202277958393097},{"id":"https://openalex.org/keywords/virology","display_name":"Virology","score":0.4045281410217285},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.38640162348747253},{"id":"https://openalex.org/keywords/virus","display_name":"Virus","score":0.2391582429409027},{"id":"https://openalex.org/keywords/infectious-disease","display_name":"Infectious disease (medical specialty)","score":0.22498199343681335},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.2120390236377716},{"id":"https://openalex.org/keywords/ribavirin","display_name":"Ribavirin","score":0.18458470702171326},{"id":"https://openalex.org/keywords/disease","display_name":"Disease","score":0.14236503839492798},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.11352667212486267}],"concepts":[{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5993021726608276},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.545656681060791},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5324581265449524},{"id":"https://openalex.org/C103637391","wikidata":"https://www.wikidata.org/wiki/Q5308921","display_name":"Drug repositioning","level":3,"score":0.527652382850647},{"id":"https://openalex.org/C2777182164","wikidata":"https://www.wikidata.org/wiki/Q422585","display_name":"Lopinavir","level":5,"score":0.5168941020965576},{"id":"https://openalex.org/C3008058167","wikidata":"https://www.wikidata.org/wiki/Q84263196","display_name":"Coronavirus disease 2019 (COVID-19)","level":4,"score":0.5054407119750977},{"id":"https://openalex.org/C3007834351","wikidata":"https://www.wikidata.org/wiki/Q82069695","display_name":"Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)","level":5,"score":0.48683756589889526},{"id":"https://openalex.org/C2778390639","wikidata":"https://www.wikidata.org/wiki/Q2502747","display_name":"Sofosbuvir","level":5,"score":0.4737587571144104},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.46848973631858826},{"id":"https://openalex.org/C2778986448","wikidata":"https://www.wikidata.org/wiki/Q7517689","display_name":"Simeprevir","level":5,"score":0.4444034695625305},{"id":"https://openalex.org/C2777648638","wikidata":"https://www.wikidata.org/wiki/Q57751738","display_name":"Coronavirus","level":5,"score":0.4202277958393097},{"id":"https://openalex.org/C159047783","wikidata":"https://www.wikidata.org/wiki/Q7215","display_name":"Virology","level":1,"score":0.4045281410217285},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.38640162348747253},{"id":"https://openalex.org/C2522874641","wikidata":"https://www.wikidata.org/wiki/Q808","display_name":"Virus","level":2,"score":0.2391582429409027},{"id":"https://openalex.org/C524204448","wikidata":"https://www.wikidata.org/wiki/Q788926","display_name":"Infectious disease (medical specialty)","level":3,"score":0.22498199343681335},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2120390236377716},{"id":"https://openalex.org/C2780040827","wikidata":"https://www.wikidata.org/wiki/Q421862","display_name":"Ribavirin","level":4,"score":0.18458470702171326},{"id":"https://openalex.org/C2779134260","wikidata":"https://www.wikidata.org/wiki/Q12136","display_name":"Disease","level":2,"score":0.14236503839492798},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.11352667212486267},{"id":"https://openalex.org/C2776408679","wikidata":"https://www.wikidata.org/wiki/Q708693","display_name":"Hepatitis C virus","level":3,"score":0.0},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000086402","descriptor_name":"SARS-CoV-2","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D000086402","descriptor_name":"SARS-CoV-2","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D000086402","descriptor_name":"SARS-CoV-2","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D000086402","descriptor_name":"SARS-CoV-2","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D000086402","descriptor_name":"SARS-CoV-2","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1093/bib/bbaa260","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbaa260","pdf_url":"https://academic.oup.com/bib/article-pdf/22/2/946/36655239/bbaa260.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},{"id":"pmid:33078827","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33078827","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in bioinformatics","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:7665328","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/7665328","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Brief Bioinform","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/bib/bbaa260","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbaa260","pdf_url":"https://academic.oup.com/bib/article-pdf/22/2/946/36655239/bbaa260.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.8199999928474426}],"awards":[{"id":"https://openalex.org/G2408914377","display_name":null,"funder_award_id":"P30 DA035778A1","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G7770719975","display_name":null,"funder_award_id":"P30 DA035778","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320310017","display_name":"University of Connecticut","ror":"https://ror.org/02der9h97"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3093434265.pdf","grobid_xml":"https://content.openalex.org/works/W3093434265.grobid-xml"},"referenced_works_count":63,"referenced_works":["https://openalex.org/W1815575713","https://openalex.org/W1985803640","https://openalex.org/W2004595546","https://openalex.org/W2008781418","https://openalex.org/W2034021926","https://openalex.org/W2049502419","https://openalex.org/W2062110365","https://openalex.org/W2065913569","https://openalex.org/W2094400680","https://openalex.org/W2113118632","https://openalex.org/W2132629607","https://openalex.org/W2134967712","https://openalex.org/W2161572568","https://openalex.org/W2234037461","https://openalex.org/W2330799739","https://openalex.org/W2521059846","https://openalex.org/W2526304203","https://openalex.org/W2787229753","https://openalex.org/W2806399642","https://openalex.org/W2898364362","https://openalex.org/W2918278359","https://openalex.org/W2954728343","https://openalex.org/W2987928072","https://openalex.org/W3001118548","https://openalex.org/W3001897055","https://openalex.org/W3003217347","https://openalex.org/W3003430844","https://openalex.org/W3003573988","https://openalex.org/W3003713259","https://openalex.org/W3003828791","https://openalex.org/W3004280078","https://openalex.org/W3004318991","https://openalex.org/W3004705239","https://openalex.org/W3004896487","https://openalex.org/W3005079553","https://openalex.org/W3006645647","https://openalex.org/W3006973065","https://openalex.org/W3007643904","https://openalex.org/W3008116551","https://openalex.org/W3008517334","https://openalex.org/W3008827533","https://openalex.org/W3011072970","https://openalex.org/W3012379316","https://openalex.org/W3013283620","https://openalex.org/W3013297459","https://openalex.org/W3014067025","https://openalex.org/W3015429854","https://openalex.org/W3015490759","https://openalex.org/W3015608194","https://openalex.org/W3016885747","https://openalex.org/W3023724901","https://openalex.org/W3034131048","https://openalex.org/W3040936427","https://openalex.org/W3042634121","https://openalex.org/W3045143182","https://openalex.org/W3048079539","https://openalex.org/W3049552342","https://openalex.org/W3102061947","https://openalex.org/W3165656738","https://openalex.org/W6770414484","https://openalex.org/W6773091853","https://openalex.org/W6774327775","https://openalex.org/W6781666233"],"related_works":["https://openalex.org/W2598210959","https://openalex.org/W2522973404","https://openalex.org/W2406786677","https://openalex.org/W4245914075","https://openalex.org/W2063315423","https://openalex.org/W2526193883","https://openalex.org/W2332034631","https://openalex.org/W2164406493","https://openalex.org/W2294237726","https://openalex.org/W2140118261"],"abstract_inverted_index":{"Given":[0],"the":[1,7,41,57,61,87,193,208,215,260,267],"scale":[2],"and":[3,83,125,150,155,157,190,262,269],"rapid":[4,58],"spread":[5,59],"of":[6,44,60,65,89,103,196,264,272],"coronavirus":[8,18],"disease":[9],"2019":[10],"(COVID-19)":[11],"caused":[12],"by":[13,176,243],"severe":[14],"acute":[15],"respiratory":[16],"syndrome":[17],"2":[19],"(SARS-CoV-2,":[20],"or":[21,143],"2019-nCoV),":[22],"there":[23],"is":[24,52],"an":[25,158],"urgent":[26],"need":[27],"to":[28,55,97,118,164,166,213],"identify":[29,214],"therapeutics":[30],"that":[31],"are":[32,38,71,162,222,240],"effective":[33],"against":[34],"COVID-19":[35,174,235],"before":[36],"vaccines":[37],"available.":[39],"Since":[40],"current":[42],"rate":[43,102],"SARS-CoV-2":[45,69,169],"knowledge":[46],"acquisition":[47],"via":[48],"traditional":[49],"research":[50],"methods":[51],"not":[53,85],"sufficient":[54],"match":[56],"virus,":[62],"novel":[63,107,257],"strategies":[64],"drug":[66,160,217],"discovery":[67],"for":[68,76,123,137,173,192,251,259,270],"infection":[70,175],"required.":[72],"Structure-based":[73],"virtual":[74],"screening":[75],"example":[77],"relies":[78],"primarily":[79],"on":[80],"docking":[81],"scores":[82],"does":[84],"take":[86],"importance":[88],"key":[90],"residues":[91],"into":[92],"consideration,":[93],"which":[94,111,221],"may":[95],"lead":[96],"a":[98,140,256],"significantly":[99],"higher":[100],"incidence":[101],"false-positive":[104],"results.":[105],"Our":[106,253],"in":[108,168,266],"silico":[109],"approach,":[110],"overcomes":[112],"these":[113],"limitations,":[114],"can":[115],"be":[116],"utilized":[117],"quickly":[119],"evaluate":[120],"FDA-approved":[121],"drugs":[122,145,153,187,265],"repurposing":[124,261],"combination,":[126],"as":[127,129],"well":[128],"designing":[130],"new":[131,178,202],"chemical":[132,273],"agents":[133],"with":[134,170,207,224,248,275],"therapeutic":[135,171],"potential":[136,172,194,216,249],"COVID-19.":[138,197,252],"As":[139],"result,":[141],"anti-HIV":[142],"antiviral":[144,236],"(lopinavir,":[146],"tenofovir":[147],"disoproxil,":[148],"fosamprenavir":[149],"ganciclovir),":[151],"antiflu":[152],"(peramivir":[154],"zanamivir)":[156],"anti-HCV":[159],"(sofosbuvir)":[161],"predicted":[163],"bind":[165],"3CLPro":[167],"our":[177,201],"protocol.":[179],"In":[180,228],"addition,":[181,229],"we":[182,199],"also":[183,241],"propose":[184],"three":[185],"antidiabetic":[186],"(acarbose,":[188],"glyburide":[189],"tolazamide)":[191],"treatment":[195,250],"Finally,":[198],"apply":[200],"virus":[203],"chemogenomics":[204],"knowledgebase":[205],"platform":[206],"integrated":[209],"machine-learning":[210],"computing":[211],"algorithms":[212],"combinations":[218,263],"(e.g.":[219],"remdesivir+chloroquine),":[220],"congruent":[223],"ongoing":[225],"clinical":[226],"trials.":[227],"another":[230],"10":[231],"compounds":[232,238],"from":[233],"CAS":[234],"candidate":[237],"dataset":[239],"suggested":[242],"Molecular":[244],"Complex":[245],"Characterizing":[246],"System":[247],"work":[254],"provides":[255],"strategy":[258],"market":[268],"prediction":[271],"candidates":[274],"anti-COVID-19":[276],"potential.":[277]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":10},{"year":2022,"cited_by_count":5},{"year":2021,"cited_by_count":11}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}