{"id":"https://openalex.org/W4406894271","doi":"https://doi.org/10.1016/j.cbi.2025.111404","title":"Toxicological profile of Acovenoside A as an active pharmaceutical ingredient \u2013 prediction of missing key toxicological endpoints using in silico toxicology methodology","display_name":"Toxicological profile of Acovenoside A as an active pharmaceutical ingredient \u2013 prediction of missing key toxicological endpoints using in silico toxicology methodology","publication_year":2025,"publication_date":"2025-01-28","ids":{"openalex":"https://openalex.org/W4406894271","doi":"https://doi.org/10.1016/j.cbi.2025.111404","pmid":"https://pubmed.ncbi.nlm.nih.gov/39884495"},"language":"en","primary_location":{"id":"doi:10.1016/j.cbi.2025.111404","doi":"https://doi.org/10.1016/j.cbi.2025.111404","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.cbi.2025.111404","pdf_url":null,"source":{"id":"https://openalex.org/S34460812","display_name":"Chemico-Biological Interactions","issn_l":"0009-2797","issn":["0009-2797","1872-7786"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemico-Biological Interactions","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W4406894271"],"child_works_count":0,"type":"article","is_traditional":true,"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/A5062024099","display_name":"Kamil Jurowski","orcid":"https://orcid.org/0000-0003-0310-2849","observed_orcids":["https://orcid.org/0000-0003-0310-2849"]},"institutions":[{"id":"https://openalex.org/I98559091","display_name":"University of Rzesz\u00f3w","ror":"https://ror.org/03pfsnq21","country_code":"PL","type":"education","lineage":["https://openalex.org/I98559091"]}],"countries":["PL"],"is_corresponding":true,"raw_author_name":"Kamil Jurowski","raw_affiliation_strings":["Laboratory of Innovative Toxicological Research and Analyses, Faculty of Medicine, Medical College, Rzesz\u00f3w University, Al. mjr. W. Kopisto 2a, 35-959, Rzesz\u00f3w, Poland; Department of Regulatory and Forensic Toxicology, Institute of Medical Expertises, Aleksandrowska 67/93, 91-205, \u0141\u00f3d\u017a, Poland. Electronic address: toksykologia@ur.edu.pl"],"raw_orcid":"https://orcid.org/0000-0003-0310-2849","affiliations":[{"raw_affiliation_string":"Laboratory of Innovative Toxicological Research and Analyses, Faculty of Medicine, Medical College, Rzesz\u00f3w University, Al. mjr. W. Kopisto 2a, 35-959, Rzesz\u00f3w, Poland; Department of Regulatory and Forensic Toxicology, Institute of Medical Expertises, Aleksandrowska 67/93, 91-205, \u0141\u00f3d\u017a, Poland. Electronic address: toksykologia@ur.edu.pl","institution_ids":["https://openalex.org/I98559091"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5093943617","display_name":"\u0141ukasz Ni\u017cnik","orcid":"https://orcid.org/0009-0004-7617-9868","observed_orcids":["https://orcid.org/0009-0004-7617-9868"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"\u0141ukasz Ni\u017cnik","raw_affiliation_strings":["Department of Regulatory and Forensic Toxicology, Institute of Medical Expertises, Aleksandrowska 67/93, 91-205, \u0141\u00f3d\u017a, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Regulatory and Forensic Toxicology, Institute of Medical Expertises, Aleksandrowska 67/93, 91-205, \u0141\u00f3d\u017a, Poland","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020847426","display_name":"Adrian Frydrych","orcid":"https://orcid.org/0000-0002-4215-1777","observed_orcids":["https://orcid.org/0000-0002-4215-1777"]},"institutions":[{"id":"https://openalex.org/I98559091","display_name":"University of Rzesz\u00f3w","ror":"https://ror.org/03pfsnq21","country_code":"PL","type":"education","lineage":["https://openalex.org/I98559091"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Adrian Frydrych","raw_affiliation_strings":["Laboratory of Innovative Toxicological Research and Analyses, Faculty of Medicine, Medical College, Rzesz\u00f3w University, Al. mjr. W. Kopisto 2a, 35-959, Rzesz\u00f3w, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Innovative Toxicological Research and Analyses, Faculty of Medicine, Medical College, Rzesz\u00f3w University, Al. mjr. W. Kopisto 2a, 35-959, Rzesz\u00f3w, Poland","institution_ids":["https://openalex.org/I98559091"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5092680358","display_name":"Damian Kobylarz","orcid":"https://orcid.org/0009-0001-2731-4152","observed_orcids":["https://orcid.org/0009-0001-2731-4152"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Damian Kobylarz","raw_affiliation_strings":["Department of Regulatory and Forensic Toxicology, Institute of Medical Expertises, Aleksandrowska 67/93, 91-205, \u0141\u00f3d\u017a, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Regulatory and Forensic Toxicology, Institute of Medical Expertises, Aleksandrowska 67/93, 91-205, \u0141\u00f3d\u017a, Poland","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053602589","display_name":"Maciej Noga","orcid":"https://orcid.org/0000-0002-4621-3429","observed_orcids":["https://orcid.org/0000-0002-4621-3429"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Maciej Noga","raw_affiliation_strings":["Department of Regulatory and Forensic Toxicology, Institute of Medical Expertises, Aleksandrowska 67/93, 91-205, \u0141\u00f3d\u017a, Poland"],"raw_orcid":"https://orcid.org/0000-0002-4621-3429","affiliations":[{"raw_affiliation_string":"Department of Regulatory and Forensic Toxicology, Institute of Medical Expertises, Aleksandrowska 67/93, 91-205, \u0141\u00f3d\u017a, Poland","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5095090914","display_name":"Alicja Kro\u015bniak","orcid":"https://orcid.org/0009-0007-7376-895X","observed_orcids":["https://orcid.org/0009-0007-7376-895X"]},"institutions":[{"id":"https://openalex.org/I98559091","display_name":"University of Rzesz\u00f3w","ror":"https://ror.org/03pfsnq21","country_code":"PL","type":"education","lineage":["https://openalex.org/I98559091"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Alicja Kro\u015bniak","raw_affiliation_strings":["Laboratory of Innovative Toxicological Research and Analyses, Faculty of Medicine, Medical College, Rzesz\u00f3w University, Al. mjr. W. Kopisto 2a, 35-959, Rzesz\u00f3w, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Innovative Toxicological Research and Analyses, Faculty of Medicine, Medical College, Rzesz\u00f3w University, Al. mjr. W. Kopisto 2a, 35-959, Rzesz\u00f3w, Poland","institution_ids":["https://openalex.org/I98559091"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5116057528","display_name":"Oktawia Fija\u0142kowska","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I98559091","display_name":"University of Rzesz\u00f3w","ror":"https://ror.org/03pfsnq21","country_code":"PL","type":"education","lineage":["https://openalex.org/I98559091"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Oktawia Fija\u0142kowska","raw_affiliation_strings":["Laboratory of Innovative Toxicological Research and Analyses, Faculty of Medicine, Medical College, Rzesz\u00f3w University, Al. mjr. W. Kopisto 2a, 35-959, Rzesz\u00f3w, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Innovative Toxicological Research and Analyses, Faculty of Medicine, Medical College, Rzesz\u00f3w University, Al. mjr. W. Kopisto 2a, 35-959, Rzesz\u00f3w, Poland","institution_ids":["https://openalex.org/I98559091"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5116598297","display_name":"Agnieszka \u015awidniak","orcid":"https://orcid.org/0009-0005-4336-188X","observed_orcids":["https://orcid.org/0009-0005-4336-188X"]},"institutions":[{"id":"https://openalex.org/I98559091","display_name":"University of Rzesz\u00f3w","ror":"https://ror.org/03pfsnq21","country_code":"PL","type":"education","lineage":["https://openalex.org/I98559091"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Agnieszka \u015awidniak","raw_affiliation_strings":["Toxicological Science Club 'Paracelsus', Faculty of Medicine, Medical College, Rzesz\u00f3w University, Al. mjr. W. Kopisto 2a, 35-959, Rzesz\u00f3w, Poland","Toxicological Science Club 'Paracelsus', Institute of Medical Studies, Medical College, Rzesz\u00f3w University, Al. mjr. W. Kopisto 2a, 35-959 Rzesz\u00f3w, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Toxicological Science Club 'Paracelsus', Faculty of Medicine, Medical College, Rzesz\u00f3w University, Al. mjr. W. Kopisto 2a, 35-959, Rzesz\u00f3w, Poland","institution_ids":["https://openalex.org/I98559091"]},{"raw_affiliation_string":"Toxicological Science Club 'Paracelsus', Institute of Medical Studies, Medical College, Rzesz\u00f3w University, Al. mjr. W. Kopisto 2a, 35-959 Rzesz\u00f3w, Poland","institution_ids":["https://openalex.org/I98559091"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5012472012","display_name":"Varun Ahuja","orcid":"https://orcid.org/0000-0002-0143-6426","observed_orcids":["https://orcid.org/0000-0002-0143-6426"]},"institutions":[{"id":"https://openalex.org/I4210149349","display_name":"Syngene International (India)","ror":"https://ror.org/04k99et05","country_code":"IN","type":"company","lineage":["https://openalex.org/I4210149349"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Varun Ahuja","raw_affiliation_strings":["Safety Assessment, Syngene International Limited, Biocon Park, Bommasandra IV Phase, Jigani Link Road, Bangalore, 560099, Karnataka, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Safety Assessment, Syngene International Limited, Biocon Park, Bommasandra IV Phase, Jigani Link Road, Bangalore, 560099, Karnataka, India","institution_ids":["https://openalex.org/I4210149349"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5062024099"],"corresponding_institution_ids":["https://openalex.org/I98559091"],"apc_list":{"value":3540,"currency":"USD","value_usd":3540},"apc_paid":null,"fwci":3.4348,"has_fulltext":false,"cited_by_count":12,"citation_normalized_percentile":{"value":0.93107308,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":97,"max":98},"biblio":{"volume":"408","issue":null,"first_page":"111404","last_page":"111404"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.7856000065803528,"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":0.7856000065803528,"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/T13185","display_name":"Phytochemistry and Bioactive Compounds","score":0.06710000336170197,"subfield":{"id":"https://openalex.org/subfields/2502","display_name":"Biomaterials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12657","display_name":"Phytochemistry Medicinal Plant Applications","score":0.042399998754262924,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/cardenolides","display_name":"cardenolides","score":0.9079999923706055},{"id":"https://openalex.org/keywords/computational-toxicology","display_name":"computational toxicology","score":0.7670000195503235},{"id":"https://openalex.org/keywords/acute-toxicity-prediction","display_name":"acute toxicity prediction","score":0.8220000267028809},{"id":"https://openalex.org/keywords/ld50","display_name":"LD50","score":0.781000018119812},{"id":"https://openalex.org/keywords/multi-organ-toxicity","display_name":"multi-organ toxicity","score":0.7710000276565552},{"id":"https://openalex.org/keywords/skin-irritation","display_name":"skin irritation","score":0.6869999766349792},{"id":"https://openalex.org/keywords/eye-irritation","display_name":"eye irritation","score":0.9980000257492065},{"id":"https://openalex.org/keywords/endocrine-disruption","display_name":"endocrine disruption","score":0.9679999947547913},{"id":"https://openalex.org/keywords/toxicophores","display_name":"toxicophores","score":0.7250000238418579},{"id":"https://openalex.org/keywords/cardioprotection","display_name":"cardioprotection","score":0.7170000076293945},{"id":"https://openalex.org/keywords/non-small-cell-lung-cancer","display_name":"non-small cell lung cancer","score":0.9700000286102295},{"id":"https://openalex.org/keywords/qsar-modeling","display_name":"QSAR models","score":0.5519999861717224},{"id":"https://openalex.org/keywords/admet-properties","display_name":"ADMET properties","score":0.40299999713897705}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.7139261960983276},{"id":"https://openalex.org/C45904493","wikidata":"https://www.wikidata.org/wiki/Q912807","display_name":"Active ingredient","level":2,"score":0.618896484375},{"id":"https://openalex.org/C33070731","wikidata":"https://www.wikidata.org/wiki/Q7218","display_name":"Toxicology","level":1,"score":0.49282005429267883},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.46596577763557434},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3996395766735077},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.30843329429626465},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.28432872891426086},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.056680768728256226},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002298","descriptor_name":"Cardenolides","qualifier_ui":"Q000633","qualifier_name":"toxicity","is_major_topic":true},{"descriptor_ui":"D002298","descriptor_name":"Cardenolides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051379","descriptor_name":"Mice","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1016/j.cbi.2025.111404","doi":"https://doi.org/10.1016/j.cbi.2025.111404","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.cbi.2025.111404","pdf_url":null,"source":{"id":"https://openalex.org/S34460812","display_name":"Chemico-Biological Interactions","issn_l":"0009-2797","issn":["0009-2797","1872-7786"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemico-Biological Interactions","raw_type":"journal-article"},{"id":"pmid:39884495","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39884495","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":"Chemico-biological interactions","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.9763000011444092}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":36,"referenced_works":["https://openalex.org/W1974974878","https://openalex.org/W2006961531","https://openalex.org/W2010173810","https://openalex.org/W2014858249","https://openalex.org/W2054405945","https://openalex.org/W2069655246","https://openalex.org/W2069931991","https://openalex.org/W2076855615","https://openalex.org/W2086633456","https://openalex.org/W2096232251","https://openalex.org/W2155561395","https://openalex.org/W2321916717","https://openalex.org/W2411449916","https://openalex.org/W2570783574","https://openalex.org/W2594622951","https://openalex.org/W2736195454","https://openalex.org/W2773778202","https://openalex.org/W2794440911","https://openalex.org/W2810023675","https://openalex.org/W2888936354","https://openalex.org/W3014092941","https://openalex.org/W3154258817","https://openalex.org/W3157449636","https://openalex.org/W3167831104","https://openalex.org/W4205905034","https://openalex.org/W4224303411","https://openalex.org/W4226086528","https://openalex.org/W4234816600","https://openalex.org/W4238949883","https://openalex.org/W4254142761","https://openalex.org/W4299422046","https://openalex.org/W4384501821","https://openalex.org/W4387799435","https://openalex.org/W4389021877","https://openalex.org/W4393936599","https://openalex.org/W4395010444"],"related_works":["https://openalex.org/W2411449916","https://openalex.org/W2773778202","https://openalex.org/W2955422261","https://openalex.org/W4389021877","https://openalex.org/W2594622951","https://openalex.org/W3095742169","https://openalex.org/W7215106020","https://openalex.org/W3014424965","https://openalex.org/W4408304698","https://openalex.org/W4392699459"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":5},{"year":2025,"cited_by_count":7}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2025-01-29T00:00:00"}
