{"id":"https://openalex.org/W4295079739","doi":"https://doi.org/10.3390/molecules27175732","title":"New Chemicals Suppressing SARS-CoV-2 Replication in Cell Culture","display_name":"New Chemicals Suppressing SARS-CoV-2 Replication in Cell Culture","publication_year":2022,"publication_date":"2022-09-05","ids":{"openalex":"https://openalex.org/W4295079739","doi":"https://doi.org/10.3390/molecules27175732","pmid":"https://pubmed.ncbi.nlm.nih.gov/36080498","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/9457583"},"language":"en","primary_location":{"id":"doi:10.3390/molecules27175732","doi":"https://doi.org/10.3390/molecules27175732","is_oa":true,"landing_page_url":"https://doi.org/10.3390/molecules27175732","pdf_url":"https://www.mdpi.com/1420-3049/27/17/5732/pdf?version=1662384608","source":{"id":"https://openalex.org/S108911230","display_name":"Molecules","issn_l":"1420-3049","issn":["1420-3049","1433-1373"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","medline","poland-140","russia-white-list-1"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecules","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/1420-3049/27/17/5732/pdf?version=1662384608","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101695175","display_name":"Alexey V. Sulimov","orcid":"https://orcid.org/0000-0002-8767-642X","observed_orcids":["https://orcid.org/0000-0002-8767-642X"]},"institutions":[{"id":"https://openalex.org/I19880235","display_name":"Lomonosov Moscow State University","ror":"https://ror.org/010pmpe69","country_code":"RU","type":"education","lineage":["https://openalex.org/I19880235"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Alexey Sulimov","raw_affiliation_strings":["Dimonta Ltd., 15 Nagornaya Str., Bldg 8, 117186 Moscow, Russia","Research Computing Center, Lomonosov Moscow State University, Leninskie Gory, 1, Building 4, 119234 Moscow, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dimonta Ltd., 15 Nagornaya Str., Bldg 8, 117186 Moscow, Russia","institution_ids":[]},{"raw_affiliation_string":"Research Computing Center, Lomonosov Moscow State University, Leninskie Gory, 1, Building 4, 119234 Moscow, Russia","institution_ids":["https://openalex.org/I19880235"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030842718","display_name":"Ivan S. Ilin","orcid":"https://orcid.org/0000-0002-3612-393X","observed_orcids":["https://orcid.org/0000-0002-3612-393X"]},"institutions":[{"id":"https://openalex.org/I19880235","display_name":"Lomonosov Moscow State University","ror":"https://ror.org/010pmpe69","country_code":"RU","type":"education","lineage":["https://openalex.org/I19880235"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Ivan Ilin","raw_affiliation_strings":["Dimonta Ltd., 15 Nagornaya Str., Bldg 8, 117186 Moscow, Russia","Research Computing Center, Lomonosov Moscow State University, Leninskie Gory, 1, Building 4, 119234 Moscow, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dimonta Ltd., 15 Nagornaya Str., Bldg 8, 117186 Moscow, Russia","institution_ids":[]},{"raw_affiliation_string":"Research Computing Center, Lomonosov Moscow State University, Leninskie Gory, 1, Building 4, 119234 Moscow, Russia","institution_ids":["https://openalex.org/I19880235"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081004260","display_name":"Danil C. Kutov","orcid":"https://orcid.org/0000-0002-4777-6522","observed_orcids":["https://orcid.org/0000-0002-4777-6522"]},"institutions":[{"id":"https://openalex.org/I19880235","display_name":"Lomonosov Moscow State University","ror":"https://ror.org/010pmpe69","country_code":"RU","type":"education","lineage":["https://openalex.org/I19880235"]}],"countries":["RU"],"is_corresponding":true,"raw_author_name":"Danil Kutov","raw_affiliation_strings":["Dimonta Ltd., 15 Nagornaya Str., Bldg 8, 117186 Moscow, Russia","Research Computing Center, Lomonosov Moscow State University, Leninskie Gory, 1, Building 4, 119234 Moscow, Russia"],"raw_orcid":"https://orcid.org/0000-0002-4777-6522","affiliations":[{"raw_affiliation_string":"Dimonta Ltd., 15 Nagornaya Str., Bldg 8, 117186 Moscow, Russia","institution_ids":[]},{"raw_affiliation_string":"Research Computing Center, Lomonosov Moscow State University, Leninskie Gory, 1, Building 4, 119234 Moscow, Russia","institution_ids":["https://openalex.org/I19880235"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087060119","display_name":"Khidmet Safarovich Shikhaliev","orcid":"https://orcid.org/0000-0002-6576-0305","observed_orcids":["https://orcid.org/0000-0002-6576-0305"]},"institutions":[{"id":"https://openalex.org/I71305448","display_name":"Voronezh State University","ror":"https://ror.org/0543j5e78","country_code":"RU","type":"education","lineage":["https://openalex.org/I71305448"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Khidmet Shikhaliev","raw_affiliation_strings":["Department of Organic Chemistry, Faculty of Chemistry, Voronezh State University, 1 Universitetskaya Sq., 394018 Voronezh, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry, Faculty of Chemistry, Voronezh State University, 1 Universitetskaya Sq., 394018 Voronezh, Russia","institution_ids":["https://openalex.org/I71305448"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066586985","display_name":"\u0414. \u041d. \u0429\u0435\u0440\u0431\u0430\u043a\u043e\u0432","orcid":"https://orcid.org/0000-0001-8023-4453","observed_orcids":["https://orcid.org/0000-0001-8023-4453"]},"institutions":[{"id":"https://openalex.org/I2802000777","display_name":"State Research Center of Virology and Biotechnology VECTOR","ror":"https://ror.org/00z7n1h55","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1318325419","https://openalex.org/I2802000777"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Dmitriy Shcherbakov","raw_affiliation_strings":["State Research Centre of Virology and Biotechnology \u201cVector\u201d, 630559 Koltsovo, Russia"],"raw_orcid":"https://orcid.org/0000-0001-8023-4453","affiliations":[{"raw_affiliation_string":"State Research Centre of Virology and Biotechnology \u201cVector\u201d, 630559 Koltsovo, Russia","institution_ids":["https://openalex.org/I2802000777"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070847632","display_name":"Oleg V. Pyankov","orcid":"https://orcid.org/0000-0003-3340-8750","observed_orcids":["https://orcid.org/0000-0003-3340-8750","https://orcid.org/0000-0003-1194-7219"]},"institutions":[{"id":"https://openalex.org/I2802000777","display_name":"State Research Center of Virology and Biotechnology VECTOR","ror":"https://ror.org/00z7n1h55","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1318325419","https://openalex.org/I2802000777"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Oleg Pyankov","raw_affiliation_strings":["State Research Centre of Virology and Biotechnology \u201cVector\u201d, 630559 Koltsovo, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Research Centre of Virology and Biotechnology \u201cVector\u201d, 630559 Koltsovo, Russia","institution_ids":["https://openalex.org/I2802000777"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013120309","display_name":"Nadezhda V. Stolpovskaya","orcid":"https://orcid.org/0000-0002-1819-6414","observed_orcids":["https://orcid.org/0000-0002-1819-6414"]},"institutions":[{"id":"https://openalex.org/I71305448","display_name":"Voronezh State University","ror":"https://ror.org/0543j5e78","country_code":"RU","type":"education","lineage":["https://openalex.org/I71305448"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Nadezhda Stolpovskaya","raw_affiliation_strings":["Department of Organic Chemistry, Faculty of Chemistry, Voronezh State University, 1 Universitetskaya Sq., 394018 Voronezh, Russia"],"raw_orcid":"https://orcid.org/0000-0002-1819-6414","affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry, Faculty of Chemistry, Voronezh State University, 1 Universitetskaya Sq., 394018 Voronezh, Russia","institution_ids":["https://openalex.org/I71305448"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058319560","display_name":"Svetlana Mikhajlovna Medvedeva","orcid":"https://orcid.org/0000-0003-0073-1084","observed_orcids":["https://orcid.org/0000-0003-0073-1084"]},"institutions":[{"id":"https://openalex.org/I71305448","display_name":"Voronezh State University","ror":"https://ror.org/0543j5e78","country_code":"RU","type":"education","lineage":["https://openalex.org/I71305448"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Svetlana Medvedeva","raw_affiliation_strings":["Department of Organic Chemistry, Faculty of Chemistry, Voronezh State University, 1 Universitetskaya Sq., 394018 Voronezh, Russia"],"raw_orcid":"https://orcid.org/0000-0003-0073-1084","affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry, Faculty of Chemistry, Voronezh State University, 1 Universitetskaya Sq., 394018 Voronezh, Russia","institution_ids":["https://openalex.org/I71305448"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5080885688","display_name":"Vladimir Borisovich Sulimov","orcid":"https://orcid.org/0000-0002-7102-6107","observed_orcids":["https://orcid.org/0000-0002-7102-6107"]},"institutions":[{"id":"https://openalex.org/I19880235","display_name":"Lomonosov Moscow State University","ror":"https://ror.org/010pmpe69","country_code":"RU","type":"education","lineage":["https://openalex.org/I19880235"]}],"countries":["RU"],"is_corresponding":true,"raw_author_name":"Vladimir Sulimov","raw_affiliation_strings":["Dimonta Ltd., 15 Nagornaya Str., Bldg 8, 117186 Moscow, Russia","Research Computing Center, Lomonosov Moscow State University, Leninskie Gory, 1, Building 4, 119234 Moscow, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dimonta Ltd., 15 Nagornaya Str., Bldg 8, 117186 Moscow, Russia","institution_ids":[]},{"raw_affiliation_string":"Research Computing Center, Lomonosov Moscow State University, Leninskie Gory, 1, Building 4, 119234 Moscow, Russia","institution_ids":["https://openalex.org/I19880235"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5080885688","https://openalex.org/A5081004260"],"corresponding_institution_ids":["https://openalex.org/I19880235"],"apc_list":{"value":2300,"currency":"CHF","value_usd":2408},"apc_paid":{"value":2300,"currency":"CHF","value_usd":2408},"fwci":0.6774,"has_fulltext":true,"cited_by_count":12,"citation_normalized_percentile":{"value":0.61231498,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"27","issue":"17","first_page":"5732","last_page":"5732"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.79830002784729,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.79830002784729,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10118","display_name":"SARS-CoV-2 and COVID-19 Research","score":0.1931000053882599,"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/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":0.0007999999797903001,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/sars-cov-2","display_name":"SARS-CoV-2","score":0.9980000257492065},{"id":"https://openalex.org/keywords/main-protease-mpro","display_name":"main protease (Mpro)","score":0.7609999775886536},{"id":"https://openalex.org/keywords/protease-inhibitors","display_name":"protease inhibitors","score":0.8550000190734863},{"id":"https://openalex.org/keywords/antiviral-drug-discovery","display_name":"antiviral drug discovery","score":0.9300000071525574},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"virtual screening","score":0.6470000147819519},{"id":"https://openalex.org/keywords/protein-ligand-docking","display_name":"protein-ligand docking","score":0.6549999713897705},{"id":"https://openalex.org/keywords/vero-e6-cells","display_name":"Vero E6 cells","score":0.7940000295639038},{"id":"https://openalex.org/keywords/cytotoxicity","display_name":"cytotoxicity","score":0.7850000262260437},{"id":"https://openalex.org/keywords/chemical-analogs","display_name":"chemical analogs","score":0.6809999942779541}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6851663589477539},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.623221218585968},{"id":"https://openalex.org/C89138240","wikidata":"https://www.wikidata.org/wiki/Q3066564","display_name":"Vero cell","level":3,"score":0.5777077674865723},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5667022466659546},{"id":"https://openalex.org/C109316439","wikidata":"https://www.wikidata.org/wiki/Q246181","display_name":"Cytotoxicity","level":3,"score":0.5581230521202087},{"id":"https://openalex.org/C140704245","wikidata":"https://www.wikidata.org/wiki/Q3933202","display_name":"Viral replication","level":3,"score":0.5578161478042603},{"id":"https://openalex.org/C2776714187","wikidata":"https://www.wikidata.org/wiki/Q212410","display_name":"Protease","level":3,"score":0.4991645812988281},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.4904341399669647},{"id":"https://openalex.org/C2777648638","wikidata":"https://www.wikidata.org/wiki/Q57751738","display_name":"Coronavirus","level":5,"score":0.48917368054389954},{"id":"https://openalex.org/C81885089","wikidata":"https://www.wikidata.org/wiki/Q189082","display_name":"Cell culture","level":2,"score":0.4357331693172455},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.3903687298297882},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.3827117383480072},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.34969279170036316},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.28236526250839233},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.27414068579673767},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.27169644832611084},{"id":"https://openalex.org/C3008058167","wikidata":"https://www.wikidata.org/wiki/Q84263196","display_name":"Coronavirus disease 2019 (COVID-19)","level":4,"score":0.20884326100349426},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.13266506791114807},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.09626707434654236},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.08950138092041016},{"id":"https://openalex.org/C2779134260","wikidata":"https://www.wikidata.org/wiki/Q12136","display_name":"Disease","level":2,"score":0.0},{"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/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"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":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000093485","descriptor_name":"COVID-19 Drug Treatment","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003546","descriptor_name":"Cysteine Endopeptidases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017361","descriptor_name":"Viral Nonstructural Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018929","descriptor_name":"Cell Culture Techniques","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":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.3390/molecules27175732","doi":"https://doi.org/10.3390/molecules27175732","is_oa":true,"landing_page_url":"https://doi.org/10.3390/molecules27175732","pdf_url":"https://www.mdpi.com/1420-3049/27/17/5732/pdf?version=1662384608","source":{"id":"https://openalex.org/S108911230","display_name":"Molecules","issn_l":"1420-3049","issn":["1420-3049","1433-1373"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","medline","poland-140","russia-white-list-1"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecules","raw_type":"journal-article"},{"id":"pmid:36080498","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36080498","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,"listed_in":[],"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":"Molecules (Basel, Switzerland)","raw_type":"Journal Article"},{"id":"pmh:oai:pubmedcentral.nih.gov:9457583","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC9457583/","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecules","raw_type":"Text"},{"id":"pmh:oai:doaj.org/article:08e6f34dc7bf48139e60886a071b9bd0","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/08e6f34dc7bf48139e60886a071b9bd0","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Molecules, Vol 27, Iss 17, p 5732 (2022)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.3390/molecules27175732","doi":"https://doi.org/10.3390/molecules27175732","is_oa":true,"landing_page_url":"https://doi.org/10.3390/molecules27175732","pdf_url":"https://www.mdpi.com/1420-3049/27/17/5732/pdf?version=1662384608","source":{"id":"https://openalex.org/S108911230","display_name":"Molecules","issn_l":"1420-3049","issn":["1420-3049","1433-1373"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","medline","poland-140","russia-white-list-1"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecules","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.8048999905586243,"display_name":"Good health and well-being"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G187085870","display_name":null,"funder_award_id":"21-71-20031","funder_id":"https://openalex.org/F4320324099","funder_display_name":"Russian Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320324099","display_name":"Russian Science Foundation","ror":"https://ror.org/03y2gwe85"},{"id":"https://openalex.org/F4320329591","display_name":"Lomonosov Moscow State University","ror":"https://ror.org/010pmpe69"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4295079739.pdf","grobid_xml":"https://content.openalex.org/works/W4295079739.grobid-xml"},"referenced_works_count":73,"referenced_works":["https://openalex.org/W255996521","https://openalex.org/W1757990252","https://openalex.org/W1996164871","https://openalex.org/W2014490066","https://openalex.org/W2018518196","https://openalex.org/W2022015451","https://openalex.org/W2025816743","https://openalex.org/W2029541907","https://openalex.org/W2032084435","https://openalex.org/W2044444984","https://openalex.org/W2055563809","https://openalex.org/W2063015120","https://openalex.org/W2065003763","https://openalex.org/W2078749611","https://openalex.org/W2086126241","https://openalex.org/W2101052016","https://openalex.org/W2107063279","https://openalex.org/W2130479394","https://openalex.org/W2152139726","https://openalex.org/W2169678694","https://openalex.org/W2312427548","https://openalex.org/W2327219554","https://openalex.org/W2788111150","https://openalex.org/W2793165218","https://openalex.org/W2891255742","https://openalex.org/W2904506792","https://openalex.org/W2921761665","https://openalex.org/W2942282411","https://openalex.org/W2964301053","https://openalex.org/W2981412399","https://openalex.org/W2992232256","https://openalex.org/W2997766653","https://openalex.org/W3005212621","https://openalex.org/W3011701533","https://openalex.org/W3013468691","https://openalex.org/W3015608194","https://openalex.org/W3017019784","https://openalex.org/W3018221308","https://openalex.org/W3021356535","https://openalex.org/W3022734398","https://openalex.org/W3023915741","https://openalex.org/W3033737840","https://openalex.org/W3043979223","https://openalex.org/W3080583403","https://openalex.org/W3080596815","https://openalex.org/W3083738738","https://openalex.org/W3083880680","https://openalex.org/W3092541273","https://openalex.org/W3094560806","https://openalex.org/W3105771019","https://openalex.org/W3113347309","https://openalex.org/W3120274460","https://openalex.org/W3121049453","https://openalex.org/W3126402217","https://openalex.org/W3130155181","https://openalex.org/W3132737072","https://openalex.org/W3134120587","https://openalex.org/W3143964243","https://openalex.org/W3152703278","https://openalex.org/W3167205542","https://openalex.org/W3174224323","https://openalex.org/W3189646261","https://openalex.org/W3193876904","https://openalex.org/W3194155648","https://openalex.org/W3194958906","https://openalex.org/W3199736892","https://openalex.org/W3204205680","https://openalex.org/W3204421985","https://openalex.org/W3205127490","https://openalex.org/W4206272488","https://openalex.org/W4220976155","https://openalex.org/W4225286967","https://openalex.org/W6802148997"],"related_works":["https://openalex.org/W3166725785","https://openalex.org/W3096745495","https://openalex.org/W4401040856","https://openalex.org/W3093350213","https://openalex.org/W7117723282","https://openalex.org/W3102822610","https://openalex.org/W4212885861","https://openalex.org/W3126402217","https://openalex.org/W4402318212","https://openalex.org/W4407008448"],"abstract_inverted_index":{"Candidates":[0],"to":[1,129,152,188],"being":[2],"inhibitors":[3,94,133,150],"of":[4,9,16,54,92,98,131,134],"the":[5,14,43,55,58,65,70,75,79,89,96,99,107,113,122,135,145,173,193],"main":[6],"protease":[7],"(Mpro)":[8],"SARS-CoV-2":[10,136,162,194],"were":[11,38,86],"selected":[12,87],"from":[13],"database":[15,24],"Voronezh":[17],"State":[18],"University":[19],"using":[20,42,121],"molecular":[21],"modeling.":[22],"The":[23,148,156],"contained":[25],"approximately":[26],"19,000":[27],"compounds":[28,85],"represented":[29],"by":[30,64,126],"more":[31],"than":[32],"41,000":[33],"ligand":[34],"conformers.":[35],"These":[36,182],"ligands":[37,50],"docked":[39],"into":[40],"Mpro":[41],"SOL":[44,56,76],"docking":[45],"program.":[46],"For":[47],"one":[48],"thousand":[49],"with":[51,69,141],"best":[52,108,174],"values":[53,143],"score,":[57],"protein-ligand":[59,81],"binding":[60,82],"enthalpy":[61],"was":[62],"calculated":[63,80],"PM7":[66],"quantum-chemical":[67],"method":[68],"COSMO":[71],"solvent":[72],"model.":[73],"Using":[74],"score":[77],"and":[78,104,178],"enthalpies,":[83],"eighteen":[84],"for":[88,115],"experiments.":[90],"Several":[91],"these":[93],"suppressed":[95],"replication":[97,137,163],"coronavirus":[100],"in":[101,112,138,164],"cell":[102,139,167],"culture,":[103],"we":[105],"used":[106],"three":[109,153,157],"among":[110,119],"them":[111],"search":[114],"chemical":[116,154],"analogs.":[117],"Selection":[118],"analogs":[120],"same":[123],"procedure":[124],"followed":[125],"experiments":[127],"led":[128],"identification":[130],"seven":[132],"culture":[140,168],"EC50":[142],"at":[144],"micromolar":[146],"level.":[147],"identified":[149],"belong":[151],"classes.":[155],"inhibitors,":[158,177],"4,4-dimethyldithioquinoline":[159],"derivatives,":[160],"inhibit":[161],"Vero":[165],"E6":[166],"just":[169],"as":[170,172],"effectively":[171],"published":[175],"non-covalent":[176],"show":[179],"low":[180],"cytotoxicity.":[181],"results":[183],"open":[184],"up":[185],"a":[186],"possibility":[187],"develop":[189],"antiviral":[190],"drugs":[191],"against":[192],"coronavirus.":[195]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":2}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2022-09-10T00:00:00"}
