{"id":"https://openalex.org/W3211321261","doi":"https://doi.org/10.1021/acs.jcim.1c00994","title":"Synergistic Effects of Natural Compounds Toward Inhibition of SARS-CoV-2 3CL Protease","display_name":"Synergistic Effects of Natural Compounds Toward Inhibition of SARS-CoV-2 3CL Protease","publication_year":2021,"publication_date":"2021-10-25","ids":{"openalex":"https://openalex.org/W3211321261","doi":"https://doi.org/10.1021/acs.jcim.1c00994","mag":"3211321261","pmid":"https://pubmed.ncbi.nlm.nih.gov/34694807"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.1c00994","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.1c00994","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5017230758","display_name":"Avinash Mishra","orcid":"https://orcid.org/0000-0003-4125-6670"},"institutions":[{"id":"https://openalex.org/I68891433","display_name":"Indian Institute of Technology Delhi","ror":"https://ror.org/049tgcd06","country_code":"IN","type":"education","lineage":["https://openalex.org/I68891433"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Avinash Mishra","raw_affiliation_strings":["Department of Chemical Engineering, Indian Institute of Technology, Hauz Khas, New Delhi 110016, India","Growdea Technologies Pvt. Ltd., Gurugram, Haryana 122004, India"],"raw_orcid":"https://orcid.org/0000-0003-4125-6670","affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Indian Institute of Technology, Hauz Khas, New Delhi 110016, India","institution_ids":["https://openalex.org/I68891433"]},{"raw_affiliation_string":"Growdea Technologies Pvt. Ltd., Gurugram, Haryana 122004, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060857000","display_name":"Wajihul Hasan Khan","orcid":"https://orcid.org/0000-0002-8544-2638"},"institutions":[{"id":"https://openalex.org/I68891433","display_name":"Indian Institute of Technology Delhi","ror":"https://ror.org/049tgcd06","country_code":"IN","type":"education","lineage":["https://openalex.org/I68891433"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Wajihul Hasan Khan","raw_affiliation_strings":["Department of Chemical Engineering, Indian Institute of Technology, Hauz Khas, New Delhi 110016, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Indian Institute of Technology, Hauz Khas, New Delhi 110016, India","institution_ids":["https://openalex.org/I68891433"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078008569","display_name":"Anurag S. Rathore","orcid":"https://orcid.org/0000-0002-5913-4244"},"institutions":[{"id":"https://openalex.org/I68891433","display_name":"Indian Institute of Technology Delhi","ror":"https://ror.org/049tgcd06","country_code":"IN","type":"education","lineage":["https://openalex.org/I68891433"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Anurag S. Rathore","raw_affiliation_strings":["Department of Chemical Engineering, Indian Institute of Technology, Hauz Khas, New Delhi 110016, India"],"raw_orcid":"https://orcid.org/0000-0002-5913-4244","affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Indian Institute of Technology, Hauz Khas, New Delhi 110016, India","institution_ids":["https://openalex.org/I68891433"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5078008569"],"corresponding_institution_ids":["https://openalex.org/I68891433"],"apc_list":null,"apc_paid":null,"fwci":1.9683,"has_fulltext":false,"cited_by_count":15,"citation_normalized_percentile":{"value":0.88338091,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":98},"biblio":{"volume":"61","issue":"11","first_page":"5708","last_page":"5718"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9997000098228455,"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":0.9997000098228455,"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/T10274","display_name":"Synthesis and biological activity","score":0.9879999756813049,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"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":0.980400025844574,"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/protease","display_name":"Protease","score":0.7528204917907715},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6231045722961426},{"id":"https://openalex.org/keywords/severe-acute-respiratory-syndrome-coronavirus-2","display_name":"Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)","score":0.6162183880805969},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.5951083898544312},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.5611011385917664},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.553598165512085},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5525328516960144},{"id":"https://openalex.org/keywords/coronavirus-disease-2019","display_name":"Coronavirus disease 2019 (COVID-19)","score":0.5461718440055847},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.5187642574310303},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.48966601490974426},{"id":"https://openalex.org/keywords/active-site","display_name":"Active site","score":0.48960381746292114},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.45488786697387695},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.43741488456726074},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.4153096079826355},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.41095295548439026},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.4097216725349426},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.22889629006385803},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.13735347986221313},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.13041755557060242}],"concepts":[{"id":"https://openalex.org/C2776714187","wikidata":"https://www.wikidata.org/wiki/Q212410","display_name":"Protease","level":3,"score":0.7528204917907715},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6231045722961426},{"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":0.6162183880805969},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5951083898544312},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5611011385917664},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.553598165512085},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5525328516960144},{"id":"https://openalex.org/C3008058167","wikidata":"https://www.wikidata.org/wiki/Q84263196","display_name":"Coronavirus disease 2019 (COVID-19)","level":4,"score":0.5461718440055847},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.5187642574310303},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.48966601490974426},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.48960381746292114},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.45488786697387695},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.43741488456726074},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4153096079826355},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.41095295548439026},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.4097216725349426},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.22889629006385803},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.13735347986221313},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.13041755557060242},{"id":"https://openalex.org/C524204448","wikidata":"https://www.wikidata.org/wiki/Q788926","display_name":"Infectious disease (medical specialty)","level":3,"score":0.0},{"id":"https://openalex.org/C2779134260","wikidata":"https://www.wikidata.org/wiki/Q12136","display_name":"Disease","level":2,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"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":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086402","descriptor_name":"SARS-CoV-2","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086402","descriptor_name":"SARS-CoV-2","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086402","descriptor_name":"SARS-CoV-2","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086782","descriptor_name":"Coronavirus 3C Proteases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D000086782","descriptor_name":"Coronavirus 3C Proteases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D000086782","descriptor_name":"Coronavirus 3C Proteases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010447","descriptor_name":"Peptide Hydrolases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010447","descriptor_name":"Peptide Hydrolases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010447","descriptor_name":"Peptide Hydrolases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D058873","descriptor_name":"Pandemics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D058873","descriptor_name":"Pandemics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D058873","descriptor_name":"Pandemics","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:10.1021/acs.jcim.1c00994","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.1c00994","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:34694807","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/34694807","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":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:europepmc.org:7454785","is_oa":false,"landing_page_url":"http://europepmc.org/pmc/articles/PMC8565457","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Text"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.8299999833106995}],"awards":[{"id":"https://openalex.org/G585305219","display_name":null,"funder_award_id":"BT/COE/34/SP15097/2015","funder_id":"https://openalex.org/F4320320717","funder_display_name":"Department of Biotechnology, Ministry of Science and Technology, India"}],"funders":[{"id":"https://openalex.org/F4320320717","display_name":"Department of Biotechnology, Ministry of Science and Technology, India","ror":"https://ror.org/03tjsyq23"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":46,"referenced_works":["https://openalex.org/W1966078827","https://openalex.org/W1997772366","https://openalex.org/W2025729416","https://openalex.org/W2027408247","https://openalex.org/W2035266068","https://openalex.org/W2049620183","https://openalex.org/W2105668062","https://openalex.org/W2125299541","https://openalex.org/W2130479394","https://openalex.org/W2130539506","https://openalex.org/W2134967712","https://openalex.org/W2139857335","https://openalex.org/W2145693406","https://openalex.org/W2149302140","https://openalex.org/W2225556849","https://openalex.org/W2271736303","https://openalex.org/W2517181693","https://openalex.org/W2551072359","https://openalex.org/W2612027503","https://openalex.org/W2783897572","https://openalex.org/W2892308164","https://openalex.org/W2985346127","https://openalex.org/W3004894342","https://openalex.org/W3007227604","https://openalex.org/W3009456922","https://openalex.org/W3012173632","https://openalex.org/W3019998044","https://openalex.org/W3024386794","https://openalex.org/W3028083463","https://openalex.org/W3032089175","https://openalex.org/W3033737840","https://openalex.org/W3034089625","https://openalex.org/W3040116040","https://openalex.org/W3043574076","https://openalex.org/W3046385872","https://openalex.org/W3087529209","https://openalex.org/W3093345512","https://openalex.org/W3093567485","https://openalex.org/W3094951777","https://openalex.org/W3096057929","https://openalex.org/W3096999989","https://openalex.org/W3113315680","https://openalex.org/W3114897634","https://openalex.org/W3118810627","https://openalex.org/W3131762051","https://openalex.org/W3133327867"],"related_works":["https://openalex.org/W1528942931","https://openalex.org/W57367030","https://openalex.org/W2029672467","https://openalex.org/W4308805210","https://openalex.org/W2004834660","https://openalex.org/W2043558654","https://openalex.org/W4225792090","https://openalex.org/W2090863707","https://openalex.org/W4385741417","https://openalex.org/W4285201319"],"abstract_inverted_index":{"The":[0,87,115,213],"biggest":[1],"challenge":[2],"in":[3,120,151],"medical":[4],"management":[5],"and":[6,21,49,125,140,158,218,230,245,264,279],"control":[7],"of":[8,15,46,51,53,63,89,117,197,262,276],"the":[9,13,16,30,44,90,102,152,159,164,171,176,189,199,203,206,242,250,274,277,283,292,299,304],"COVID-19":[10,27],"pandemic":[11],"is":[12,35,41,161],"nonavailability":[14],"treatment":[17],"molecules.":[18],"While":[19],"vaccines":[20],"other":[22],"biotherapeutic":[23],"products":[24],"for":[25,85,112,184,209],"managing":[26],"have":[28,252],"reached":[29],"market,":[31],"a":[32,54,70,108,193,210,235,286,295],"small-molecule":[33,55],"cure":[34],"yet":[36],"to":[37,80,132,181,240,254,272],"be":[38],"developed.":[39],"This":[40,167],"relevant":[42],"because":[43],"cost":[45],"production,":[47],"storage,":[48],"ease":[50],"distribution":[52],"drug":[56,75,110],"are":[57,77,123,179],"significantly":[58],"more":[59],"favorable":[60],"than":[61],"those":[62],"biologics.":[64],"In":[65],"this":[66,121],"paper,":[67],"we":[68],"present":[69],"multicompound":[71],"approach,":[72],"where":[73],"two":[74,91,300],"molecules":[76],"administered":[78],"concurrently":[79],"offer":[81,130],"an":[82,185],"effective":[83],"therapy":[84],"COVID-19.":[86],"co-action":[88],"compounds,":[92,278],"each":[93],"derived":[94],"from":[95,163],"natural":[96],"origins,":[97],"has":[98],"been":[99],"demonstrated":[100],"against":[101,307],"3CL":[103,309],"protease,":[104,177],"already":[105],"recognized":[106],"as":[107],"potential":[109],"target":[111],"inhibiting":[113],"SARS-CoV-2.":[114],"pair":[116],"compounds":[118,147,200,224,251,284,301],"pursued":[119],"study":[122],"flavonoid":[124],"naphthalene":[126],"scaffold.":[127],"Individually,":[128],"they":[129,178],"\u223c30":[131],"35%":[133],"inhibition":[134,220,256,305],"at":[135,228,259],"10":[136],"\u03bcM.":[137,266],"Comprehensive":[138],"docking":[139],"molecular":[141],"dynamics":[142],"simulations":[143],"elucidate":[144],"that":[145,169,192,249,302],"these":[146],"exhibit":[148],"excellent":[149],"binding":[150,165,208,275,289],"process,":[153],"which":[154],"however":[155],"quickly":[156],"deteriorates,":[157],"ligand":[160],"separated":[162],"site.":[166],"suggests":[168],"while":[170],"ligands":[172],"initially":[173],"bind":[174],"with":[175,202],"unable":[180],"maintain":[182],"it":[183,246],"extended":[186],"period.":[187],"However,":[188],"simulation":[190],"showed":[191],"simultaneous":[194],"docked":[195],"complex":[196],"both":[198,223],"together":[201,227],"protein":[204],"boosts":[205],"stronger":[207],"sufficient":[211],"time.":[212],"enzyme":[214],"assay":[215,237],"exhibited":[216],"97":[217],"85%":[219],"activity":[221,257,306],"when":[222,280],"were":[225],"used":[226,239,271,281],"100":[229],"50":[231],"\u03bcM,":[232],"respectively.":[233],"Later,":[234],"multiconcentration":[236],"was":[238,247,270],"determine":[241],"coinhibitory":[243],"activity,":[244],"observed":[248],"\u223c20":[253],"30%":[255],"even":[258],"lower":[260],"concentrations":[261],"0.5":[263],"1":[265],"Surface":[267],"plasmon":[268],"resonance":[269],"measure":[273],"together,":[282],"had":[285],"10-fold":[287],"greater":[288],"affinity.":[290],"Thus,":[291],"results":[293],"demonstrate":[294],"synergistic":[296],"mechanism":[297],"between":[298],"enhances":[303],"SARS-CoV-2":[308],"protease.":[310]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":4}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
