{"id":"https://openalex.org/W7225205285","doi":"https://doi.org/10.1021/acs.jmedchem.6c00405","title":"A Refined Search of SARS-CoV-2 Main Protease Inhibitors as COVID-19 Antivirals","display_name":"A Refined Search of SARS-CoV-2 Main Protease Inhibitors as COVID-19 Antivirals","publication_year":2026,"publication_date":"2026-11-03","ids":{"openalex":"https://openalex.org/W7225205285","doi":"https://doi.org/10.1021/acs.jmedchem.6c00405"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jmedchem.6c00405","doi":"https://doi.org/10.1021/acs.jmedchem.6c00405","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jmedchem.6c00405","pdf_url":"https://pubs.acs.org/jmcmar/article-pdf/doi/10.1021/acs.jmedchem.6c00405/69056962/jm6c00405.pdf","source":{"id":"https://openalex.org/S162030435","display_name":"Journal of Medicinal Chemistry","issn_l":"0022-2623","issn":["0022-2623","1520-4804"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-3","ki-jl-2","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Medicinal Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://pubs.acs.org/jmcmar/article-pdf/doi/10.1021/acs.jmedchem.6c00405/69056962/jm6c00405.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5092795348","display_name":"Veerabhadra R. Vulupala","orcid":"https://orcid.org/0000-0002-6224-5674","observed_orcids":["https://orcid.org/0000-0002-6224-5674"]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Veerabhadra R. Vulupala","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054560191","display_name":"Yugendar R. Alugubelli","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yugendar R. Alugubelli","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082930809","display_name":"Kaustav Khatua","orcid":"https://orcid.org/0000-0002-2497-3187","observed_orcids":["https://orcid.org/0000-0002-2497-3187"]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kaustav Khatua","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":"https://orcid.org/0000-0002-2497-3187","affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101885608","display_name":"Kai S. Yang","orcid":"https://orcid.org/0000-0002-1890-4169","observed_orcids":["https://orcid.org/0000-0002-1890-4169"]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kai S. Yang","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":"https://orcid.org/0000-0002-1890-4169","affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058070992","display_name":"Xuejiao Shirley Guo","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Xuejiao Shirley Guo","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076500512","display_name":"Dorsa Rabie","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dorsa Rabie","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009035357","display_name":"Tahmina Pervin","orcid":"https://orcid.org/0000-0002-0651-039X","observed_orcids":["https://orcid.org/0000-0002-0651-039X"]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Tahmina Pervin","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069867979","display_name":"Lauren R. Blankenship","orcid":"https://orcid.org/0000-0002-1714-4399","observed_orcids":["https://orcid.org/0000-0002-1714-4399"]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Lauren R. Blankenship","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044750167","display_name":"Demonta D. Coleman","orcid":"https://orcid.org/0000-0002-5806-1813","observed_orcids":["https://orcid.org/0000-0002-5806-1813"]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Demonta Coleman","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5133615691","display_name":"Sathish Kumar","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sathish Kumar","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022145475","display_name":"Chia-Chuan D. Cho","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Chia-Chuan D. Cho","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064528461","display_name":"Zhi Zachary Geng","orcid":"https://orcid.org/0000-0002-5764-6190","observed_orcids":["https://orcid.org/0000-0002-5764-6190"]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zhi Zachary Geng","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018325091","display_name":"Xinyu R. Ma","orcid":"https://orcid.org/0000-0002-4798-6095","observed_orcids":["https://orcid.org/0000-0002-4798-6095"]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Xinyu R. Ma","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":"https://orcid.org/0000-0002-4798-6095","affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062928216","display_name":"Erol Vatansever","orcid":"https://orcid.org/0000-0003-1222-3941","observed_orcids":["https://orcid.org/0000-0003-1222-3941"]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Erol Vatansever","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071359121","display_name":"Banumathi Sankaran","orcid":"https://orcid.org/0000-0002-3266-8131","observed_orcids":["https://orcid.org/0000-0002-3266-8131"]},"institutions":[{"id":"https://openalex.org/I148283060","display_name":"Lawrence Berkeley National Laboratory","ror":"https://ror.org/02jbv0t02","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I148283060","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Banumathi Sankaran","raw_affiliation_strings":["Laurence Berkeley National Laboratory , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laurence Berkeley National Laboratory , , , ,","institution_ids":["https://openalex.org/I148283060"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078239117","display_name":"Benjamin W. Neuman","orcid":"https://orcid.org/0000-0003-1240-8954","observed_orcids":["https://orcid.org/0000-0003-1240-8954"]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Benjamin W. Neuman","raw_affiliation_strings":["College of Medicine , , , ,","Texas A&M University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Medicine , , , ,","institution_ids":[]},{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101538775","display_name":"Shiqing Xu","orcid":"https://orcid.org/0000-0001-6260-9290","observed_orcids":["https://orcid.org/0000-0001-6260-9290"]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Shiqing Xu","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":"https://orcid.org/0000-0001-6260-9290","affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078640786","display_name":"Wenshe Ray Liu","orcid":"https://orcid.org/0000-0002-7078-6534","observed_orcids":["https://orcid.org/0000-0002-7078-6534"]},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Wenshe Ray Liu","raw_affiliation_strings":["Texas A&M University , , , ,"],"raw_orcid":"https://orcid.org/0000-0002-7078-6534","affiliations":[{"raw_affiliation_string":"Texas A&M University , , , ,","institution_ids":["https://openalex.org/I91045830"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5078239117","https://openalex.org/A5078640786","https://openalex.org/A5101538775"],"corresponding_institution_ids":["https://openalex.org/I91045830"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":{"value":4500,"currency":"USD","value_usd":4500},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.8620511,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10118","display_name":"SARS-CoV-2 and COVID-19 Research","score":0.9814000129699707,"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"}},"topics":[{"id":"https://openalex.org/T10118","display_name":"SARS-CoV-2 and COVID-19 Research","score":0.9814000129699707,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.004000000189989805,"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/T10620","display_name":"Protease and Inhibitor Mechanisms","score":0.0026000000070780516,"subfield":{"id":"https://openalex.org/subfields/1306","display_name":"Cancer Research"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/main-protease","display_name":"main protease","score":0.9879999756813049},{"id":"https://openalex.org/keywords/mpro-inhibitors","display_name":"Mpro inhibitors","score":0.8980000019073486},{"id":"https://openalex.org/keywords/covid-19-antivirals","display_name":"COVID-19 antiviral drugs","score":0.9739999771118164},{"id":"https://openalex.org/keywords/structure-activity-relationship","display_name":"structure-activity relationship","score":0.781000018119812},{"id":"https://openalex.org/keywords/covalent-warheads","display_name":"covalent warheads","score":0.8629999756813049},{"id":"https://openalex.org/keywords/benzoxazole","display_name":"benzoxazole","score":0.6949999928474426},{"id":"https://openalex.org/keywords/benzothiazole","display_name":"benzothiazole","score":0.9750000238418579},{"id":"https://openalex.org/keywords/trifluoromethyl-substituents","display_name":"trifluoromethyl group","score":0.8519999980926514},{"id":"https://openalex.org/keywords/cellular-permeability","display_name":"cellular permeability","score":0.5770000219345093},{"id":"https://openalex.org/keywords/antiviral-potency","display_name":"antiviral potency","score":0.6840000152587891}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9083999991416931},{"id":"https://openalex.org/C124790011","wikidata":"https://www.wikidata.org/wiki/Q2069797","display_name":"Peptidomimetic","level":3,"score":0.8465999960899353},{"id":"https://openalex.org/C2779240715","wikidata":"https://www.wikidata.org/wiki/Q333936","display_name":"Nitrile","level":2,"score":0.7052000164985657},{"id":"https://openalex.org/C2776714187","wikidata":"https://www.wikidata.org/wiki/Q212410","display_name":"Protease","level":3,"score":0.652899980545044},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.5030999779701233},{"id":"https://openalex.org/C193042331","wikidata":"https://www.wikidata.org/wiki/Q1772003","display_name":"Structure\u2013activity relationship","level":3,"score":0.47749999165534973},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.4641000032424927},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.4415999948978424},{"id":"https://openalex.org/C180577832","wikidata":"https://www.wikidata.org/wiki/Q127920","display_name":"Covalent bond","level":2,"score":0.4117000102996826},{"id":"https://openalex.org/C2779825165","wikidata":"https://www.wikidata.org/wiki/Q101497","display_name":"Aldehyde","level":3,"score":0.4049000144004822},{"id":"https://openalex.org/C2780120296","wikidata":"https://www.wikidata.org/wiki/Q96286","display_name":"Hydrolase","level":3,"score":0.384799987077713},{"id":"https://openalex.org/C2776980637","wikidata":"https://www.wikidata.org/wiki/Q427492","display_name":"Enzyme inhibitor","level":3,"score":0.3808000087738037},{"id":"https://openalex.org/C2776442012","wikidata":"https://www.wikidata.org/wiki/Q2302144","display_name":"Trifluoromethyl","level":3,"score":0.35010001063346863},{"id":"https://openalex.org/C2778327999","wikidata":"https://www.wikidata.org/wiki/Q188777","display_name":"Carboxamide","level":2,"score":0.3447999954223633},{"id":"https://openalex.org/C2910895815","wikidata":"https://www.wikidata.org/wiki/Q8054","display_name":"Polyproteins","level":4,"score":0.3334999978542328},{"id":"https://openalex.org/C2777752497","wikidata":"https://www.wikidata.org/wiki/Q286779","display_name":"IC50","level":3,"score":0.32670000195503235},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.32440000772476196},{"id":"https://openalex.org/C114373084","wikidata":"https://www.wikidata.org/wiki/Q273499","display_name":"Chemical synthesis","level":3,"score":0.3237000107765198},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.31189998984336853},{"id":"https://openalex.org/C2777752112","wikidata":"https://www.wikidata.org/wiki/Q903238","display_name":"Lead compound","level":3,"score":0.2750999927520752},{"id":"https://openalex.org/C89138240","wikidata":"https://www.wikidata.org/wiki/Q3066564","display_name":"Vero cell","level":3,"score":0.2612999975681305},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.25690001249313354},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.25130000710487366}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/acs.jmedchem.6c00405","doi":"https://doi.org/10.1021/acs.jmedchem.6c00405","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jmedchem.6c00405","pdf_url":"https://pubs.acs.org/jmcmar/article-pdf/doi/10.1021/acs.jmedchem.6c00405/69056962/jm6c00405.pdf","source":{"id":"https://openalex.org/S162030435","display_name":"Journal of Medicinal Chemistry","issn_l":"0022-2623","issn":["0022-2623","1520-4804"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-3","ki-jl-2","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Medicinal Chemistry","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1021/acs.jmedchem.6c00405","doi":"https://doi.org/10.1021/acs.jmedchem.6c00405","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jmedchem.6c00405","pdf_url":"https://pubs.acs.org/jmcmar/article-pdf/doi/10.1021/acs.jmedchem.6c00405/69056962/jm6c00405.pdf","source":{"id":"https://openalex.org/S162030435","display_name":"Journal of Medicinal Chemistry","issn_l":"0022-2623","issn":["0022-2623","1520-4804"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-3","ki-jl-2","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Medicinal Chemistry","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.8199999928474426,"id":"https://metadata.un.org/sdg/3"}],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320306196","display_name":"Welch Foundation","ror":"https://ror.org/00np6vq88"},{"id":"https://openalex.org/F4320308129","display_name":"Cancer Prevention and Research Institute of Texas","ror":"https://ror.org/0003xa228"},{"id":"https://openalex.org/F4320310164","display_name":"Texas A and M University","ror":"https://ror.org/01f5ytq51"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320337351","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"},{"id":"https://openalex.org/F4320337355","display_name":"National Institute of Allergy and Infectious Diseases","ror":"https://ror.org/043z4tv69"},{"id":"https://openalex.org/F4320337363","display_name":"National Institute of Biomedical Imaging and Bioengineering","ror":"https://ror.org/00372qc85"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7225205285.pdf","grobid_xml":"https://content.openalex.org/works/W7225205285.grobid-xml"},"referenced_works_count":54,"referenced_works":["https://openalex.org/W1985469117","https://openalex.org/W2029078941","https://openalex.org/W2129577287","https://openalex.org/W2163860501","https://openalex.org/W3004280078","https://openalex.org/W3005527412","https://openalex.org/W3011701533","https://openalex.org/W3012440244","https://openalex.org/W3015608194","https://openalex.org/W3020300207","https://openalex.org/W3023464695","https://openalex.org/W3034228022","https://openalex.org/W3081918364","https://openalex.org/W3090894484","https://openalex.org/W3092125766","https://openalex.org/W3094560806","https://openalex.org/W3096967708","https://openalex.org/W3111372677","https://openalex.org/W3125283837","https://openalex.org/W3126798852","https://openalex.org/W3129916671","https://openalex.org/W3131767541","https://openalex.org/W3135105068","https://openalex.org/W3148554359","https://openalex.org/W3170734619","https://openalex.org/W3173329226","https://openalex.org/W3174425309","https://openalex.org/W3178949565","https://openalex.org/W3180265430","https://openalex.org/W3186359705","https://openalex.org/W3189646261","https://openalex.org/W3193325964","https://openalex.org/W3199998540","https://openalex.org/W3202496125","https://openalex.org/W3215590980","https://openalex.org/W4210763050","https://openalex.org/W4225286967","https://openalex.org/W4247555443","https://openalex.org/W4280641484","https://openalex.org/W4281632121","https://openalex.org/W4283710994","https://openalex.org/W4284961864","https://openalex.org/W4315619558","https://openalex.org/W4385719040","https://openalex.org/W4385997556","https://openalex.org/W4387609433","https://openalex.org/W4389752442","https://openalex.org/W4391899362","https://openalex.org/W4394770600","https://openalex.org/W4396708135","https://openalex.org/W4398141242","https://openalex.org/W4400542338","https://openalex.org/W4412047823","https://openalex.org/W7128913147"],"related_works":["https://openalex.org/W4384831097","https://openalex.org/W4393258750","https://openalex.org/W4406418811","https://openalex.org/W4396948905","https://openalex.org/W3210754646","https://openalex.org/W7108673530","https://openalex.org/W3111372677","https://openalex.org/W4283710994","https://openalex.org/W7204246583","https://openalex.org/W3152703278"],"abstract_inverted_index":{"Abstract":[0],"MPI8":[1],"was":[2],"among":[3,137],"one":[4,81],"of":[5,124,132],"the":[6,25,44,99,138],"first":[7],"SARS-CoV-2":[8],"main":[9],"protease":[10],"(MPro)":[11],"inhibitors":[12,114,142],"with":[13,80,106],"strong":[14,127],"antiviral":[15,128],"potency.":[16],"Building":[17],"on":[18],"its":[19],"peptidomimetic":[20],"aldehyde":[21],"scaffold,":[22],"we":[23],"retained":[24],"P2":[26],"3-cyclohexylalanine":[27],"and":[28,38,42,47,51,72,92,130],"P3":[29],"O-tert-butylthreonine":[30],"elements,":[31],"which":[32],"support":[33],"S2":[34],"binding,":[35],"S-subsite":[36],"engagement,":[37],"likely":[39],"cellular":[40],"permeability,":[41],"varied":[43],"S4/S1\u2032":[45],"substituents":[46],"covalent":[48],"warheads.":[49],"SAR":[50],"co-crystal":[52],"structures":[53],"identified":[54],"compact":[55],"N-terminal":[56],"carbamates":[57],"or":[58,63,109],"amides":[59],"bearing":[60],"cyclopropane,":[61],"isopropyl,":[62],"trifluoromethyl":[64],"groups":[65,71,105],"as":[66,77],"favorable":[67],"S4":[68,104],"binders.":[69],"Benzoxazole/benzothiazole-carbonyl":[70],"acyloxymethyl":[73],"ketones":[74],"were":[75],"explored":[76],"S1\u2032-engaging":[78],"motifs,":[79],"benzoxazole-containing":[82],"structure":[83],"confirming":[84],"tight":[85],"S1\u2032":[86,110],"packing":[87],"by":[88],"crystal":[89],"structure.":[90],"Nitrile":[91],"2-amino-2-oxyacetyl":[93],"warheads":[94,108],"provided":[95],"viable":[96],"alternatives":[97],"to":[98],"parent":[100],"aldehyde.":[101],"Combining":[102],"optimized":[103],"alternative":[107],"motifs":[111],"yielded":[112],"multiple":[113],"more":[115],"potent":[116,140],"than":[117],"MPI8.":[118],"Notably,":[119],"MPI-131":[120],"showed":[121],"an":[122],"IC50":[123],"1.7":[125],"nM,":[126],"potency,":[129],"CC50":[131],"60.2":[133],"\u03bcM,":[134],"placing":[135],"it":[136],"most":[139],"MPro":[141],"reported.":[143]},"counts_by_year":[],"updated_date":"2026-11-05T12:25:35.769452","created_date":"2026-11-04T00:00:00"}
