{"id":"https://openalex.org/W4391253592","doi":"https://doi.org/10.1021/acs.jcim.3c01949","title":"Investigating Polypharmacology through Targeting Known Human Neutrophil Elastase Inhibitors to Proteinase 3","display_name":"Investigating Polypharmacology through Targeting Known Human Neutrophil Elastase Inhibitors to Proteinase 3","publication_year":2024,"publication_date":"2024-01-26","ids":{"openalex":"https://openalex.org/W4391253592","doi":"https://doi.org/10.1021/acs.jcim.3c01949","pmid":"https://pubmed.ncbi.nlm.nih.gov/38276895"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c01949","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c01949","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01949","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","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":true,"oa_status":"hybrid","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01949","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5093439773","display_name":"Parveen Gartan","orcid":"https://orcid.org/0009-0004-0079-0564"},"institutions":[{"id":"https://openalex.org/I4432739","display_name":"University of Bergen","ror":"https://ror.org/03zga2b32","country_code":"NO","type":"education","lineage":["https://openalex.org/I4432739"]}],"countries":["NO"],"is_corresponding":false,"raw_author_name":"Parveen Gartan","raw_affiliation_strings":["Computational Biology Unit, University of Bergen, Bergen 5020, Norway","Department of Chemistry, University of Bergen, Bergen 5020, Norway"],"affiliations":[{"raw_affiliation_string":"Computational Biology Unit, University of Bergen, Bergen 5020, Norway","institution_ids":["https://openalex.org/I4432739"]},{"raw_affiliation_string":"Department of Chemistry, University of Bergen, Bergen 5020, Norway","institution_ids":["https://openalex.org/I4432739"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011752183","display_name":"Fahimeh Khorsand","orcid":null},"institutions":[{"id":"https://openalex.org/I4432739","display_name":"University of Bergen","ror":"https://ror.org/03zga2b32","country_code":"NO","type":"education","lineage":["https://openalex.org/I4432739"]}],"countries":["NO"],"is_corresponding":false,"raw_author_name":"Fahimeh Khorsand","raw_affiliation_strings":["Department of Biomedicine, University of Bergen, Bergen 5020, Norway"],"affiliations":[{"raw_affiliation_string":"Department of Biomedicine, University of Bergen, Bergen 5020, Norway","institution_ids":["https://openalex.org/I4432739"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067569493","display_name":"Pushpak Mizar","orcid":null},"institutions":[{"id":"https://openalex.org/I4432739","display_name":"University of Bergen","ror":"https://ror.org/03zga2b32","country_code":"NO","type":"education","lineage":["https://openalex.org/I4432739"]}],"countries":["NO"],"is_corresponding":false,"raw_author_name":"Pushpak Mizar","raw_affiliation_strings":["Department of Chemistry, University of Bergen, Bergen 5020, Norway"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Bergen, Bergen 5020, Norway","institution_ids":["https://openalex.org/I4432739"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5093439774","display_name":"Juha Ilmari Vahokovski","orcid":null},"institutions":[{"id":"https://openalex.org/I4432739","display_name":"University of Bergen","ror":"https://ror.org/03zga2b32","country_code":"NO","type":"education","lineage":["https://openalex.org/I4432739"]}],"countries":["NO"],"is_corresponding":false,"raw_author_name":"Juha Ilmari Vahokovski","raw_affiliation_strings":["Core Facility for Biophysics, Structural Biology, and Screening, Department of Biomedicine, University of Bergen, Bergen 5020, Norway"],"affiliations":[{"raw_affiliation_string":"Core Facility for Biophysics, Structural Biology, and Screening, Department of Biomedicine, University of Bergen, Bergen 5020, Norway","institution_ids":["https://openalex.org/I4432739"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049778562","display_name":"Luis F. Cervantes","orcid":"https://orcid.org/0009-0001-0820-3828"},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan\u2013Ann Arbor","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Luis F. Cervantes","raw_affiliation_strings":["Department of Medicinal Chemistry, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States"],"affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037913175","display_name":"Bengt Erik Haug","orcid":"https://orcid.org/0000-0003-3014-9538"},"institutions":[{"id":"https://openalex.org/I4432739","display_name":"University of Bergen","ror":"https://ror.org/03zga2b32","country_code":"NO","type":"education","lineage":["https://openalex.org/I4432739"]}],"countries":["NO"],"is_corresponding":false,"raw_author_name":"Bengt Erik Haug","raw_affiliation_strings":["Centre for Pharmacy, University of Bergen, Bergen 5020, Norway","Department of Chemistry, University of Bergen, Bergen 5020, Norway"],"affiliations":[{"raw_affiliation_string":"Centre for Pharmacy, University of Bergen, Bergen 5020, Norway","institution_ids":["https://openalex.org/I4432739"]},{"raw_affiliation_string":"Department of Chemistry, University of Bergen, Bergen 5020, Norway","institution_ids":["https://openalex.org/I4432739"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036784729","display_name":"Ruth Brenk","orcid":"https://orcid.org/0000-0002-6204-5488"},"institutions":[{"id":"https://openalex.org/I4432739","display_name":"University of Bergen","ror":"https://ror.org/03zga2b32","country_code":"NO","type":"education","lineage":["https://openalex.org/I4432739"]}],"countries":["NO"],"is_corresponding":false,"raw_author_name":"Ruth Brenk","raw_affiliation_strings":["Department of Biomedicine, University of Bergen, Bergen 5020, Norway"],"affiliations":[{"raw_affiliation_string":"Department of Biomedicine, University of Bergen, Bergen 5020, Norway","institution_ids":["https://openalex.org/I4432739"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060440052","display_name":"Charles L. Brooks","orcid":"https://orcid.org/0000-0002-8149-5417"},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan\u2013Ann Arbor","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Charles L. Brooks","raw_affiliation_strings":["Biophysics Program, University of Michigan, Ann Arbor, Michigan 48109, United States","Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States"],"affiliations":[{"raw_affiliation_string":"Biophysics Program, University of Michigan, Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]},{"raw_affiliation_string":"Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5090274388","display_name":"Nathalie Reuter","orcid":"https://orcid.org/0000-0002-3649-7675"},"institutions":[{"id":"https://openalex.org/I4432739","display_name":"University of Bergen","ror":"https://ror.org/03zga2b32","country_code":"NO","type":"education","lineage":["https://openalex.org/I4432739"]}],"countries":["NO"],"is_corresponding":true,"raw_author_name":"Nathalie Reuter","raw_affiliation_strings":["Computational Biology Unit, University of Bergen, Bergen 5020, Norway","Department of Chemistry, University of Bergen, Bergen 5020, Norway"],"affiliations":[{"raw_affiliation_string":"Computational Biology Unit, University of Bergen, Bergen 5020, Norway","institution_ids":["https://openalex.org/I4432739"]},{"raw_affiliation_string":"Department of Chemistry, University of Bergen, Bergen 5020, Norway","institution_ids":["https://openalex.org/I4432739"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5060440052","https://openalex.org/A5090274388"],"corresponding_institution_ids":["https://openalex.org/I27837315","https://openalex.org/I4432739"],"apc_list":null,"apc_paid":null,"fwci":0.2895,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.55283411,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"64","issue":"3","first_page":"621","last_page":"626"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10620","display_name":"Protease and Inhibitor Mechanisms","score":0.9975000023841858,"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"}},"topics":[{"id":"https://openalex.org/T10620","display_name":"Protease and Inhibitor Mechanisms","score":0.9975000023841858,"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"}},{"id":"https://openalex.org/T12505","display_name":"Peptidase Inhibition and Analysis","score":0.9886999726295471,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"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/T12620","display_name":"Signaling Pathways in Disease","score":0.98089998960495,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"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/proteinase-3","display_name":"Proteinase 3","score":0.8316774368286133},{"id":"https://openalex.org/keywords/elastase","display_name":"Elastase","score":0.7559138536453247},{"id":"https://openalex.org/keywords/neutrophil-elastase","display_name":"Neutrophil elastase","score":0.6497355103492737},{"id":"https://openalex.org/keywords/in-vitro","display_name":"In vitro","score":0.5520845651626587},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.52984619140625},{"id":"https://openalex.org/keywords/pulmonary-disease","display_name":"Pulmonary disease","score":0.47945132851600647},{"id":"https://openalex.org/keywords/serine","display_name":"Serine","score":0.47786206007003784},{"id":"https://openalex.org/keywords/proteinase-inhibitor","display_name":"Proteinase inhibitor","score":0.4748535454273224},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.47044864296913147},{"id":"https://openalex.org/keywords/serine-proteinase-inhibitors","display_name":"Serine Proteinase Inhibitors","score":0.46382275223731995},{"id":"https://openalex.org/keywords/pancreatic-elastase","display_name":"Pancreatic elastase","score":0.4173589050769806},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4065002501010895},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.30421242117881775},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.30029934644699097},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.291534423828125},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.27438539266586304},{"id":"https://openalex.org/keywords/immunology","display_name":"Immunology","score":0.228307843208313},{"id":"https://openalex.org/keywords/inflammation","display_name":"Inflammation","score":0.22718459367752075},{"id":"https://openalex.org/keywords/myeloperoxidase","display_name":"Myeloperoxidase","score":0.1940118670463562},{"id":"https://openalex.org/keywords/serine-protease","display_name":"Serine protease","score":0.11764079332351685},{"id":"https://openalex.org/keywords/internal-medicine","display_name":"Internal medicine","score":0.11558425426483154}],"concepts":[{"id":"https://openalex.org/C21194631","wikidata":"https://www.wikidata.org/wiki/Q2113501","display_name":"Proteinase 3","level":4,"score":0.8316774368286133},{"id":"https://openalex.org/C2781044401","wikidata":"https://www.wikidata.org/wiki/Q418897","display_name":"Elastase","level":3,"score":0.7559138536453247},{"id":"https://openalex.org/C2776317360","wikidata":"https://www.wikidata.org/wiki/Q14905648","display_name":"Neutrophil elastase","level":3,"score":0.6497355103492737},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.5520845651626587},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.52984619140625},{"id":"https://openalex.org/C2992779976","wikidata":"https://www.wikidata.org/wiki/Q3286546","display_name":"Pulmonary disease","level":2,"score":0.47945132851600647},{"id":"https://openalex.org/C2776414213","wikidata":"https://www.wikidata.org/wiki/Q183290","display_name":"Serine","level":3,"score":0.47786206007003784},{"id":"https://openalex.org/C3018687534","wikidata":"https://www.wikidata.org/wiki/Q7251225","display_name":"Proteinase inhibitor","level":3,"score":0.4748535454273224},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.47044864296913147},{"id":"https://openalex.org/C2909000736","wikidata":"https://www.wikidata.org/wiki/Q87324999","display_name":"Serine Proteinase Inhibitors","level":5,"score":0.46382275223731995},{"id":"https://openalex.org/C2776326425","wikidata":"https://www.wikidata.org/wiki/Q976747","display_name":"Pancreatic elastase","level":4,"score":0.4173589050769806},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4065002501010895},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.30421242117881775},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.30029934644699097},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.291534423828125},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.27438539266586304},{"id":"https://openalex.org/C203014093","wikidata":"https://www.wikidata.org/wiki/Q101929","display_name":"Immunology","level":1,"score":0.228307843208313},{"id":"https://openalex.org/C2776914184","wikidata":"https://www.wikidata.org/wiki/Q101991","display_name":"Inflammation","level":2,"score":0.22718459367752075},{"id":"https://openalex.org/C203565725","wikidata":"https://www.wikidata.org/wiki/Q420012","display_name":"Myeloperoxidase","level":3,"score":0.1940118670463562},{"id":"https://openalex.org/C2777807008","wikidata":"https://www.wikidata.org/wiki/Q87324999","display_name":"Serine protease","level":4,"score":0.11764079332351685},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.11558425426483154},{"id":"https://openalex.org/C2776714187","wikidata":"https://www.wikidata.org/wiki/Q212410","display_name":"Protease","level":3,"score":0.0}],"mesh":[{"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":"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":"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":"D053146","descriptor_name":"Myeloblastin","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053146","descriptor_name":"Myeloblastin","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053146","descriptor_name":"Myeloblastin","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053146","descriptor_name":"Myeloblastin","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053146","descriptor_name":"Myeloblastin","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053146","descriptor_name":"Myeloblastin","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053146","descriptor_name":"Myeloblastin","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053146","descriptor_name":"Myeloblastin","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053491","descriptor_name":"Proteinase Inhibitory Proteins, Secretory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053491","descriptor_name":"Proteinase Inhibitory Proteins, Secretory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053491","descriptor_name":"Proteinase Inhibitory Proteins, Secretory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053491","descriptor_name":"Proteinase Inhibitory Proteins, Secretory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053491","descriptor_name":"Proteinase Inhibitory Proteins, Secretory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053491","descriptor_name":"Proteinase Inhibitory Proteins, Secretory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053491","descriptor_name":"Proteinase Inhibitory Proteins, Secretory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053491","descriptor_name":"Proteinase Inhibitory Proteins, Secretory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D064798","descriptor_name":"Polypharmacology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064798","descriptor_name":"Polypharmacology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064798","descriptor_name":"Polypharmacology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064798","descriptor_name":"Polypharmacology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064798","descriptor_name":"Polypharmacology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064798","descriptor_name":"Polypharmacology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064798","descriptor_name":"Polypharmacology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064798","descriptor_name":"Polypharmacology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.3c01949","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c01949","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01949","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:38276895","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38276895","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:pubmedcentral.nih.gov:10865350","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10865350","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10865350/pdf/ci3c01949.pdf","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.3c01949","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c01949","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01949","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.47999998927116394,"id":"https://metadata.un.org/sdg/2","display_name":"Zero hunger"}],"awards":[{"id":"https://openalex.org/G1759414598","display_name":null,"funder_award_id":"245922","funder_id":"https://openalex.org/F4320323299","funder_display_name":"Norges Forskningsr\u00e5d"},{"id":"https://openalex.org/G2363416695","display_name":null,"funder_award_id":"245828","funder_id":"https://openalex.org/F4320323299","funder_display_name":"Norges Forskningsr\u00e5d"},{"id":"https://openalex.org/G3245653913","display_name":null,"funder_award_id":"294594","funder_id":"https://openalex.org/F4320323299","funder_display_name":"Norges Forskningsr\u00e5d"},{"id":"https://openalex.org/G3748656914","display_name":null,"funder_award_id":"Norway","funder_id":"https://openalex.org/F4320323299","funder_display_name":"Norges Forskningsr\u00e5d"},{"id":"https://openalex.org/G6674088948","display_name":null,"funder_award_id":"GM130587","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320316417","display_name":"Trond Mohn stiftelse","ror":null},{"id":"https://openalex.org/F4320323078","display_name":"Universitetet i Bergen","ror":"https://ror.org/03zga2b32"},{"id":"https://openalex.org/F4320323299","display_name":"Norges Forskningsr\u00e5d","ror":"https://ror.org/00epmv149"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4391253592.pdf"},"referenced_works_count":29,"referenced_works":["https://openalex.org/W1167378661","https://openalex.org/W1543247582","https://openalex.org/W1589151684","https://openalex.org/W1781406431","https://openalex.org/W1878292374","https://openalex.org/W1976499671","https://openalex.org/W2032227357","https://openalex.org/W2041189078","https://openalex.org/W2051381895","https://openalex.org/W2058207803","https://openalex.org/W2060079863","https://openalex.org/W2061438701","https://openalex.org/W2069375519","https://openalex.org/W2081709084","https://openalex.org/W2089495268","https://openalex.org/W2105232700","https://openalex.org/W2109154308","https://openalex.org/W2132262459","https://openalex.org/W2135886092","https://openalex.org/W2154670681","https://openalex.org/W2159383649","https://openalex.org/W2162166182","https://openalex.org/W2330429742","https://openalex.org/W2404280981","https://openalex.org/W2731026222","https://openalex.org/W2951558416","https://openalex.org/W2966409491","https://openalex.org/W3103107554","https://openalex.org/W3203204467"],"related_works":["https://openalex.org/W2004556259","https://openalex.org/W2049321670","https://openalex.org/W1625079720","https://openalex.org/W4239031832","https://openalex.org/W3042282012","https://openalex.org/W296630880","https://openalex.org/W2026252502","https://openalex.org/W2077826580","https://openalex.org/W1563535758","https://openalex.org/W2439503824"],"abstract_inverted_index":{"Using":[0],"a":[1,19,42,59],"combination":[2],"of":[3,18,27,38,66],"multisite":[4],"\u03bb-dynamics":[5],"(MS\u03bbD)":[6],"together":[7],"with":[8],"<i>in":[9],"vitro</i>":[10],"IC<sub>50</sub>":[11],"assays,":[12],"we":[13,49],"evaluated":[14],"the":[15,53,64,73],"polypharmacological":[16],"potential":[17,74],"scaffold":[20,55],"currently":[21],"in":[22],"clinical":[23],"trials":[24],"for":[25,35,63,75],"inhibition":[26,37],"human":[28],"neutrophil":[29,44],"elastase":[30],"(HNE),":[31],"targeting":[32,68],"cardiopulmonary":[33],"disease,":[34],"efficacious":[36],"Proteinase":[39],"3":[40],"(PR3),":[41],"related":[43],"serine":[45],"proteinase.":[46],"The":[47],"affinities":[48],"observe":[50],"suggest":[51],"that":[52],"dihydropyrimidinone":[54],"can":[56],"serve":[57],"as":[58],"suitable":[60],"starting":[61],"point":[62],"establishment":[65],"polypharmacologically":[67],"both":[69],"enzymes":[70],"and":[71],"enhancing":[72],"treatments":[76],"addressing":[77],"diseases":[78],"like":[79],"chronic":[80],"obstructive":[81],"pulmonary":[82],"disease.":[83]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-03-22T08:09:32.410652","created_date":"2025-10-10T00:00:00"}
