{"id":"https://openalex.org/W2947424317","doi":"https://doi.org/10.1007/s00044-019-02368-8","title":"Pyrazole\u2013chalcone derivatives as selective COX-2 inhibitors: design, virtual screening, and in vitro analysis","display_name":"Pyrazole\u2013chalcone derivatives as selective COX-2 inhibitors: design, virtual screening, and in vitro analysis","publication_year":2019,"publication_date":"2019-05-30","ids":{"openalex":"https://openalex.org/W2947424317","doi":"https://doi.org/10.1007/s00044-019-02368-8","mag":"2947424317"},"language":"en","primary_location":{"id":"doi:10.1007/s00044-019-02368-8","doi":"https://doi.org/10.1007/s00044-019-02368-8","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00044-019-02368-8","pdf_url":null,"source":{"id":"https://openalex.org/S36909932","display_name":"Medicinal Chemistry Research","issn_l":"1054-2523","issn":["1054-2523","1554-8120"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","ki-jl-1","medline","norway-1","poland-40","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Medicinal Chemistry Research","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"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/A5046903849","display_name":"Anelise Fel\u00edcio Macarini","orcid":"https://orcid.org/0000-0003-0123-8005","observed_orcids":["https://orcid.org/0000-0003-0123-8005"]},"institutions":[{"id":"https://openalex.org/I4210144729","display_name":"Universidade do Vale do Itaja\u00ed","ror":"https://ror.org/041pjwa23","country_code":"BR","type":"education","lineage":["https://openalex.org/I4210144729"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Anelise F. Macarini","raw_affiliation_strings":["N\u00facleo de Investiga\u00e7\u00f5es Qu\u00edmico-Farmac\u00eauticas/NIQFAR, UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil","Programa de P\u00f3s-Gradua\u00e7\u00e3o em Ci\u00eancias Farmac\u00eauticas, Universidade do Vale do Itaja\u00ed\u2014UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"N\u00facleo de Investiga\u00e7\u00f5es Qu\u00edmico-Farmac\u00eauticas/NIQFAR, UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil","institution_ids":["https://openalex.org/I4210144729"]},{"raw_affiliation_string":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Ci\u00eancias Farmac\u00eauticas, Universidade do Vale do Itaja\u00ed\u2014UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil","institution_ids":["https://openalex.org/I4210144729"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046456910","display_name":"Thales Uch\u00f4a da Costa Sobrinho","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210144729","display_name":"Universidade do Vale do Itaja\u00ed","ror":"https://ror.org/041pjwa23","country_code":"BR","type":"education","lineage":["https://openalex.org/I4210144729"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Thales U. C. Sobrinho","raw_affiliation_strings":["Curso de Engenharia Qu\u00edmica, Escola do Mar, Ci\u00eancia e Tecnologia, UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Curso de Engenharia Qu\u00edmica, Escola do Mar, Ci\u00eancia e Tecnologia, UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil","institution_ids":["https://openalex.org/I4210144729"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032816847","display_name":"Gerusa W. Rizzi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210144729","display_name":"Universidade do Vale do Itaja\u00ed","ror":"https://ror.org/041pjwa23","country_code":"BR","type":"education","lineage":["https://openalex.org/I4210144729"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Gerusa W. Rizzi","raw_affiliation_strings":["N\u00facleo de Investiga\u00e7\u00f5es Qu\u00edmico-Farmac\u00eauticas/NIQFAR, UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"N\u00facleo de Investiga\u00e7\u00f5es Qu\u00edmico-Farmac\u00eauticas/NIQFAR, UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil","institution_ids":["https://openalex.org/I4210144729"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5013913478","display_name":"Rog\u00e9rio Corr\u00eaa","orcid":"https://orcid.org/0000-0003-4907-4361","observed_orcids":["https://orcid.org/0000-0003-4907-4361"]},"institutions":[{"id":"https://openalex.org/I4210144729","display_name":"Universidade do Vale do Itaja\u00ed","ror":"https://ror.org/041pjwa23","country_code":"BR","type":"education","lineage":["https://openalex.org/I4210144729"]}],"countries":["BR"],"is_corresponding":true,"raw_author_name":"Rog\u00e9rio Corr\u00eaa","raw_affiliation_strings":["Curso de Engenharia Qu\u00edmica, Escola do Mar, Ci\u00eancia e Tecnologia, UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil","N\u00facleo de Investiga\u00e7\u00f5es Qu\u00edmico-Farmac\u00eauticas/NIQFAR, UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil","Programa de P\u00f3s-Gradua\u00e7\u00e3o em Ci\u00eancias Farmac\u00eauticas, Universidade do Vale do Itaja\u00ed\u2014UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil"],"raw_orcid":"https://orcid.org/0000-0003-4907-4361","affiliations":[{"raw_affiliation_string":"Curso de Engenharia Qu\u00edmica, Escola do Mar, Ci\u00eancia e Tecnologia, UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil","institution_ids":["https://openalex.org/I4210144729"]},{"raw_affiliation_string":"N\u00facleo de Investiga\u00e7\u00f5es Qu\u00edmico-Farmac\u00eauticas/NIQFAR, UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil","institution_ids":["https://openalex.org/I4210144729"]},{"raw_affiliation_string":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Ci\u00eancias Farmac\u00eauticas, Universidade do Vale do Itaja\u00ed\u2014UNIVALI, Rua Uruguai, 458, Itajai, Santa Catarina, 88302-901, Brasil","institution_ids":["https://openalex.org/I4210144729"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5013913478"],"corresponding_institution_ids":["https://openalex.org/I4210144729"],"apc_list":{"value":3140,"currency":"USD","value_usd":3140},"apc_paid":null,"fwci":1.1157,"has_fulltext":false,"cited_by_count":35,"citation_normalized_percentile":{"value":0.70481233,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"28","issue":"8","first_page":"1235","last_page":"1245"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10274","display_name":"Heterocyclic Compound Synthesis and Bioactivity","score":0.8647000193595886,"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"}},"topics":[{"id":"https://openalex.org/T10274","display_name":"Heterocyclic Compound Synthesis and Bioactivity","score":0.8647000193595886,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.0957999974489212,"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/T12023","display_name":"Cholinesterase and Neurodegenerative Diseases","score":0.008299999870359898,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology (medical)"},"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/cox-2-inhibitors","display_name":"COX-2 inhibitors","score":0.8939999938011169},{"id":"https://openalex.org/keywords/selective-cox-2-inhibition","display_name":"selective COX-2 inhibition","score":0.8610000014305115},{"id":"https://openalex.org/keywords/structure-based-virtual-screening","display_name":"structure-based virtual screening","score":0.7260000109672546},{"id":"https://openalex.org/keywords/admet-prediction","display_name":"ADMET prediction","score":0.7139999866485596},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.7269999980926514},{"id":"https://openalex.org/keywords/celecoxib","display_name":"celecoxib","score":0.8740000128746033},{"id":"https://openalex.org/keywords/anti-inflammatory-activity","display_name":"anti-inflammatory activity","score":0.8600000143051147},{"id":"https://openalex.org/keywords/drug-design","display_name":"drug design","score":0.7269999980926514}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8434010744094849},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.685149073600769},{"id":"https://openalex.org/C2776467144","wikidata":"https://www.wikidata.org/wiki/Q408801","display_name":"Celecoxib","level":2,"score":0.6518246531486511},{"id":"https://openalex.org/C2780764945","wikidata":"https://www.wikidata.org/wiki/Q899416","display_name":"Chalcone","level":2,"score":0.6428941488265991},{"id":"https://openalex.org/C2777682936","wikidata":"https://www.wikidata.org/wiki/Q408908","display_name":"Pyrazole","level":2,"score":0.6160411238670349},{"id":"https://openalex.org/C69366308","wikidata":"https://www.wikidata.org/wiki/Q2272286","display_name":"ADME","level":3,"score":0.6059552431106567},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5507904887199402},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.4925704598426819},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.4912387728691101},{"id":"https://openalex.org/C2780152424","wikidata":"https://www.wikidata.org/wiki/Q4826062","display_name":"AutoDock","level":4,"score":0.488064169883728},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.4457792639732361},{"id":"https://openalex.org/C57992300","wikidata":"https://www.wikidata.org/wiki/Q2066956","display_name":"Potency","level":3,"score":0.4419827461242676},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.43949007987976074},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.4238918423652649},{"id":"https://openalex.org/C112705442","wikidata":"https://www.wikidata.org/wiki/Q323936","display_name":"Pharmacokinetics","level":2,"score":0.4211721420288086},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.31796687841415405},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2627921402454376},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.2298126220703125},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/s00044-019-02368-8","doi":"https://doi.org/10.1007/s00044-019-02368-8","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00044-019-02368-8","pdf_url":null,"source":{"id":"https://openalex.org/S36909932","display_name":"Medicinal Chemistry Research","issn_l":"1054-2523","issn":["1054-2523","1554-8120"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","ki-jl-1","medline","norway-1","poland-40","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Medicinal Chemistry Research","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.5683000087738037,"display_name":"Good health and well-being"}],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321091","display_name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","ror":"https://ror.org/00x0ma614"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":53,"referenced_works":["https://openalex.org/W1977242738","https://openalex.org/W1981480156","https://openalex.org/W1987612487","https://openalex.org/W1992190723","https://openalex.org/W2003076573","https://openalex.org/W2004536682","https://openalex.org/W2011505858","https://openalex.org/W2033342433","https://openalex.org/W2039478311","https://openalex.org/W2042338355","https://openalex.org/W2043509228","https://openalex.org/W2048883883","https://openalex.org/W2052907531","https://openalex.org/W2091554068","https://openalex.org/W2105649494","https://openalex.org/W2105668062","https://openalex.org/W2112845321","https://openalex.org/W2113364934","https://openalex.org/W2117227343","https://openalex.org/W2130479394","https://openalex.org/W2132629607","https://openalex.org/W2134967712","https://openalex.org/W2135732933","https://openalex.org/W2298123402","https://openalex.org/W2334483166","https://openalex.org/W2344418141","https://openalex.org/W2345340078","https://openalex.org/W2346652445","https://openalex.org/W2555447373","https://openalex.org/W2557811860","https://openalex.org/W2560192379","https://openalex.org/W2590024718","https://openalex.org/W2593436234","https://openalex.org/W2605141175","https://openalex.org/W2607053658","https://openalex.org/W2613820968","https://openalex.org/W2725742700","https://openalex.org/W2731790506","https://openalex.org/W2736732523","https://openalex.org/W2748302274","https://openalex.org/W2752552102","https://openalex.org/W2760033459","https://openalex.org/W2760712352","https://openalex.org/W2774098536","https://openalex.org/W2775021080","https://openalex.org/W2779604619","https://openalex.org/W2783494010","https://openalex.org/W2806773250","https://openalex.org/W2889816950","https://openalex.org/W2946139765","https://openalex.org/W3175318380","https://openalex.org/W4234754714","https://openalex.org/W4248107770"],"related_works":["https://openalex.org/W4308315030","https://openalex.org/W4407926266","https://openalex.org/W7139044425","https://openalex.org/W4413856085","https://openalex.org/W2931826438","https://openalex.org/W2071051270","https://openalex.org/W6904202740","https://openalex.org/W2915982620","https://openalex.org/W4391514587","https://openalex.org/W2330481638"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":9},{"year":2024,"cited_by_count":6},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":5},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":1}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2019-06-07T00:00:00"}
