{"id":"https://openalex.org/W1971109751","doi":"https://doi.org/10.1021/ci300299n","title":"Study of<i>E/Z</i>Isomerization in a Series of Novel Non-ligand Binding Pocket Androgen Receptor Antagonists","display_name":"Study of<i>E/Z</i>Isomerization in a Series of Novel Non-ligand Binding Pocket Androgen Receptor Antagonists","publication_year":2012,"publication_date":"2012-08-02","ids":{"openalex":"https://openalex.org/W1971109751","doi":"https://doi.org/10.1021/ci300299n","mag":"1971109751","pmid":"https://pubmed.ncbi.nlm.nih.gov/22853713"},"language":"en","primary_location":{"id":"doi:10.1021/ci300299n","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci300299n","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5064284121","display_name":"Fernando Blanco","orcid":"https://orcid.org/0000-0003-1283-8313"},"institutions":[{"id":"https://openalex.org/I205274468","display_name":"Trinity College Dublin","ror":"https://ror.org/02tyrky19","country_code":"IE","type":"education","lineage":["https://openalex.org/I205274468"]}],"countries":["IE"],"is_corresponding":true,"raw_author_name":"Fernando Blanco","raw_affiliation_strings":["Molecular Design Group, School of Biochemistry and Immunology, Trinity College Dublin, Dublin 2, Ireland. blancof@tcd.ie","Molecular Design Group, School of Biochemistry and Immunology, Trinity College Dublin, Dublin 2, Ireland,"],"affiliations":[{"raw_affiliation_string":"Molecular Design Group, School of Biochemistry and Immunology, Trinity College Dublin, Dublin 2, Ireland. blancof@tcd.ie","institution_ids":["https://openalex.org/I205274468"]},{"raw_affiliation_string":"Molecular Design Group, School of Biochemistry and Immunology, Trinity College Dublin, Dublin 2, Ireland,","institution_ids":["https://openalex.org/I205274468"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059357933","display_name":"Billy Egan","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Billy Egan","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014581743","display_name":"Laura Caboni","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Laura Caboni","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020738548","display_name":"Jos\u00e9 Elguero","orcid":"https://orcid.org/0000-0002-9213-6858"},"institutions":[{"id":"https://openalex.org/I4210121842","display_name":"Instituto de Qu\u00edmica M\u00e9dica","ror":"https://ror.org/02vznxv75","country_code":"ES","type":"facility","lineage":["https://openalex.org/I134820265","https://openalex.org/I4210121842"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Jos\u00e9 Elguero","raw_affiliation_strings":["Instituto de Qu\u00edmica M\u00e9dica, CSIC, Juan de la Cierva, 3, E-28006 Madrid, Spain"],"affiliations":[{"raw_affiliation_string":"Instituto de Qu\u00edmica M\u00e9dica, CSIC, Juan de la Cierva, 3, E-28006 Madrid, Spain","institution_ids":["https://openalex.org/I4210121842"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110618176","display_name":"John E. O\u2019Brien","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"John O\u2019Brien","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111845419","display_name":"Thomas McCabe","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Thomas McCabe","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066223674","display_name":"Darren Fayne","orcid":"https://orcid.org/0000-0003-2417-5406"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Darren Fayne","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029287111","display_name":"Mary J. Meegan","orcid":"https://orcid.org/0000-0002-8930-5753"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Mary J. Meegan","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5005694515","display_name":"David G. Lloyd","orcid":"https://orcid.org/0000-0003-0658-8995"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"David G. Lloyd","raw_affiliation_strings":[],"affiliations":[]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5064284121"],"corresponding_institution_ids":["https://openalex.org/I205274468"],"apc_list":null,"apc_paid":null,"fwci":1.0133,"has_fulltext":false,"cited_by_count":15,"citation_normalized_percentile":{"value":0.77469357,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"52","issue":"9","first_page":"2387","last_page":"2397"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10756","display_name":"Estrogen and related hormone effects","score":0.9987000226974487,"subfield":{"id":"https://openalex.org/subfields/1311","display_name":"Genetics"},"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/T10756","display_name":"Estrogen and related hormone effects","score":0.9987000226974487,"subfield":{"id":"https://openalex.org/subfields/1311","display_name":"Genetics"},"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/T11146","display_name":"Hormonal and reproductive studies","score":0.9797999858856201,"subfield":{"id":"https://openalex.org/subfields/2712","display_name":"Endocrinology, Diabetes and Metabolism"},"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/T11884","display_name":"Redox biology and oxidative stress","score":0.9739999771118164,"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/androgen-receptor","display_name":"Androgen receptor","score":0.8223726749420166},{"id":"https://openalex.org/keywords/isomerization","display_name":"Isomerization","score":0.6987330913543701},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6034008860588074},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.5954121351242065},{"id":"https://openalex.org/keywords/series","display_name":"Series (stratigraphy)","score":0.4903557300567627},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.46193185448646545},{"id":"https://openalex.org/keywords/androgen","display_name":"Androgen","score":0.4263512194156647},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.4029403328895569},{"id":"https://openalex.org/keywords/internal-medicine","display_name":"Internal medicine","score":0.26079925894737244},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2378462255001068},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.21460187435150146},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.15727543830871582},{"id":"https://openalex.org/keywords/cancer","display_name":"Cancer","score":0.07050734758377075},{"id":"https://openalex.org/keywords/hormone","display_name":"Hormone","score":0.05827617645263672},{"id":"https://openalex.org/keywords/catalysis","display_name":"Catalysis","score":0.054231494665145874},{"id":"https://openalex.org/keywords/prostate-cancer","display_name":"Prostate cancer","score":0.05111682415008545}],"concepts":[{"id":"https://openalex.org/C61367390","wikidata":"https://www.wikidata.org/wiki/Q416601","display_name":"Androgen receptor","level":4,"score":0.8223726749420166},{"id":"https://openalex.org/C126661725","wikidata":"https://www.wikidata.org/wiki/Q903420","display_name":"Isomerization","level":3,"score":0.6987330913543701},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6034008860588074},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.5954121351242065},{"id":"https://openalex.org/C143724316","wikidata":"https://www.wikidata.org/wiki/Q312468","display_name":"Series (stratigraphy)","level":2,"score":0.4903557300567627},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.46193185448646545},{"id":"https://openalex.org/C2777911890","wikidata":"https://www.wikidata.org/wiki/Q62614","display_name":"Androgen","level":3,"score":0.4263512194156647},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.4029403328895569},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.26079925894737244},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2378462255001068},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.21460187435150146},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.15727543830871582},{"id":"https://openalex.org/C121608353","wikidata":"https://www.wikidata.org/wiki/Q12078","display_name":"Cancer","level":2,"score":0.07050734758377075},{"id":"https://openalex.org/C71315377","wikidata":"https://www.wikidata.org/wiki/Q11364","display_name":"Hormone","level":2,"score":0.05827617645263672},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.054231494665145874},{"id":"https://openalex.org/C2780192828","wikidata":"https://www.wikidata.org/wiki/Q181257","display_name":"Prostate cancer","level":3,"score":0.05111682415008545},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000726","descriptor_name":"Androgen Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000726","descriptor_name":"Androgen Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000726","descriptor_name":"Androgen Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000726","descriptor_name":"Androgen Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000726","descriptor_name":"Androgen Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000726","descriptor_name":"Androgen Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007536","descriptor_name":"Isomerism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007536","descriptor_name":"Isomerism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007536","descriptor_name":"Isomerism","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":"D008024","descriptor_name":"Ligands","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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011944","descriptor_name":"Receptors, Androgen","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011944","descriptor_name":"Receptors, Androgen","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011944","descriptor_name":"Receptors, Androgen","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013058","descriptor_name":"Mass Spectrometry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013058","descriptor_name":"Mass Spectrometry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013058","descriptor_name":"Mass Spectrometry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/ci300299n","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci300299n","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:22853713","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22853713","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:digital.csic.es:10261/63762","is_oa":false,"landing_page_url":"http://hdl.handle.net/10261/63762","pdf_url":null,"source":{"id":"https://openalex.org/S4306401639","display_name":"DIGITAL.CSIC (Spanish National Research Council (CSIC))","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I134820265","host_organization_name":"Consejo Superior de Investigaciones Cient\u00edficas","host_organization_lineage":["https://openalex.org/I134820265"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"http://purl.org/coar/resource_type/c_6501"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.7599999904632568}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":35,"referenced_works":["https://openalex.org/W78358234","https://openalex.org/W1496083612","https://openalex.org/W1538041790","https://openalex.org/W1568384316","https://openalex.org/W1833119055","https://openalex.org/W1923405750","https://openalex.org/W1965344095","https://openalex.org/W1969625699","https://openalex.org/W1976079272","https://openalex.org/W1990339193","https://openalex.org/W1995219008","https://openalex.org/W1997151511","https://openalex.org/W1997893228","https://openalex.org/W2005851251","https://openalex.org/W2023271753","https://openalex.org/W2025310986","https://openalex.org/W2026799822","https://openalex.org/W2029178033","https://openalex.org/W2030337750","https://openalex.org/W2032870060","https://openalex.org/W2049996223","https://openalex.org/W2054891791","https://openalex.org/W2076188148","https://openalex.org/W2079116651","https://openalex.org/W2085124463","https://openalex.org/W2101779426","https://openalex.org/W2128681877","https://openalex.org/W2143981217","https://openalex.org/W2284118597","https://openalex.org/W2312768584","https://openalex.org/W2317142852","https://openalex.org/W2317150711","https://openalex.org/W2331680076","https://openalex.org/W2938857778","https://openalex.org/W2949592679"],"related_works":["https://openalex.org/W2033566079","https://openalex.org/W3009569511","https://openalex.org/W2327862400","https://openalex.org/W2365928272","https://openalex.org/W2095348706","https://openalex.org/W2104364640","https://openalex.org/W235652835","https://openalex.org/W1967664125","https://openalex.org/W2099111599","https://openalex.org/W2435077941"],"abstract_inverted_index":{"We":[0],"report":[1],"the":[2,32,36,67,78,92],"conformational":[3],"analysis":[4],"of":[5,8,12,31,47,73,85],"a":[6,44,83],"series":[7,84],"3-hydroxy-N'-((naphthalen-2-yl)methylene)naphthalene-2-carbohydrazides.":[9],"This":[10],"class":[11],"compounds":[13,76],"has":[14,59],"recently":[15],"been":[16],"reported":[17],"as":[18],"androgen":[19,79],"receptor":[20],"(AR)-coactivator":[21],"disruptors":[22],"for":[23,66,94],"potential":[24],"application":[25],"in":[26],"prostate":[27],"cancer":[28],"therapy.":[29],"Definition":[30],"E/Z":[33],"isomerism":[34],"around":[35],"imine":[37],"linker":[38],"group":[39],"(hydrazide)":[40],"is":[41],"significant":[42],"from":[43],"mechanistic":[45],"point":[46],"view.":[48],"A":[49],"detailed":[50],"study":[51],"using":[52],"theoretical":[53],"calculations":[54],"coupled":[55],"with":[56,82],"experimental":[57],"techniques":[58],"allowed":[60],"us":[61],"determine":[62],"an":[63],"initial":[64],"preference":[65],"E":[68],"isomer.":[69],"The":[70],"biological":[71],"activity":[72],"newly":[74],"synthesized":[75],"at":[77],"receptor,":[80],"along":[81],"structural":[86],"analogs,":[87],"was":[88],"determined":[89],"and":[90],"provides":[91],"basis":[93],"preliminary":[95],"qualitative":[96],"structure-activity":[97],"relationship":[98],"analysis.":[99]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":2},{"year":2018,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":3}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2016-06-24T00:00:00"}