{"id":"https://openalex.org/W1968840570","doi":"https://doi.org/10.1007/s10822-013-9647-5","title":"5-HT1A receptor pharmacophores to screen for off-target activity of \u03b11-adrenoceptor antagonists","display_name":"5-HT1A receptor pharmacophores to screen for off-target activity of \u03b11-adrenoceptor antagonists","publication_year":2013,"publication_date":"2013-04-01","ids":{"openalex":"https://openalex.org/W1968840570","doi":"https://doi.org/10.1007/s10822-013-9647-5","mag":"1968840570","pmid":"https://pubmed.ncbi.nlm.nih.gov/23625023"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-013-9647-5","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-013-9647-5","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":"Journal of Computer-Aided Molecular Design","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/A5059670809","display_name":"Tony Ngo","orcid":"https://orcid.org/0000-0002-6779-2546"},"institutions":[{"id":"https://openalex.org/I31746571","display_name":"UNSW Sydney","ror":"https://ror.org/03r8z3t63","country_code":"AU","type":"education","lineage":["https://openalex.org/I31746571"]}],"countries":["AU"],"is_corresponding":true,"raw_author_name":"Tony Ngo","raw_affiliation_strings":["Department of Pharmacology, School of Medical Sciences, The University of New South Wales, UNSW Sydney, NSW, 2052, Australia","The University of New South Wales"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, School of Medical Sciences, The University of New South Wales, UNSW Sydney, NSW, 2052, Australia","institution_ids":["https://openalex.org/I31746571"]},{"raw_affiliation_string":"The University of New South Wales","institution_ids":["https://openalex.org/I31746571"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006835946","display_name":"Timothy J. Nicholas","orcid":null},"institutions":[{"id":"https://openalex.org/I31746571","display_name":"UNSW Sydney","ror":"https://ror.org/03r8z3t63","country_code":"AU","type":"education","lineage":["https://openalex.org/I31746571"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Timothy J. Nicholas","raw_affiliation_strings":["Department of Pharmacology, School of Medical Sciences, The University of New South Wales, UNSW Sydney, NSW, 2052, Australia","The University of New South Wales"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, School of Medical Sciences, The University of New South Wales, UNSW Sydney, NSW, 2052, Australia","institution_ids":["https://openalex.org/I31746571"]},{"raw_affiliation_string":"The University of New South Wales","institution_ids":["https://openalex.org/I31746571"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054850801","display_name":"Junli Chen","orcid":"https://orcid.org/0000-0002-0542-9709"},"institutions":[{"id":"https://openalex.org/I31746571","display_name":"UNSW Sydney","ror":"https://ror.org/03r8z3t63","country_code":"AU","type":"education","lineage":["https://openalex.org/I31746571"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Junli Chen","raw_affiliation_strings":["Department of Pharmacology, School of Medical Sciences, The University of New South Wales, UNSW Sydney, NSW, 2052, Australia","The University of New South Wales"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, School of Medical Sciences, The University of New South Wales, UNSW Sydney, NSW, 2052, Australia","institution_ids":["https://openalex.org/I31746571"]},{"raw_affiliation_string":"The University of New South Wales","institution_ids":["https://openalex.org/I31746571"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032822616","display_name":"Angela M. Finch","orcid":"https://orcid.org/0000-0002-4598-6745"},"institutions":[{"id":"https://openalex.org/I31746571","display_name":"UNSW Sydney","ror":"https://ror.org/03r8z3t63","country_code":"AU","type":"education","lineage":["https://openalex.org/I31746571"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Angela M. Finch","raw_affiliation_strings":["Department of Pharmacology, School of Medical Sciences, The University of New South Wales, UNSW Sydney, NSW, 2052, Australia","The University of New South Wales"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, School of Medical Sciences, The University of New South Wales, UNSW Sydney, NSW, 2052, Australia","institution_ids":["https://openalex.org/I31746571"]},{"raw_affiliation_string":"The University of New South Wales","institution_ids":["https://openalex.org/I31746571"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5011528808","display_name":"Renate Griffith","orcid":"https://orcid.org/0000-0001-7739-5686"},"institutions":[{"id":"https://openalex.org/I31746571","display_name":"UNSW Sydney","ror":"https://ror.org/03r8z3t63","country_code":"AU","type":"education","lineage":["https://openalex.org/I31746571"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Renate Griffith","raw_affiliation_strings":["Department of Pharmacology, School of Medical Sciences, The University of New South Wales, UNSW Sydney, NSW, 2052, Australia","The University of New South Wales"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, School of Medical Sciences, The University of New South Wales, UNSW Sydney, NSW, 2052, Australia","institution_ids":["https://openalex.org/I31746571"]},{"raw_affiliation_string":"The University of New South Wales","institution_ids":["https://openalex.org/I31746571"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5059670809"],"corresponding_institution_ids":["https://openalex.org/I31746571"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.7451,"has_fulltext":false,"cited_by_count":9,"citation_normalized_percentile":{"value":0.70427354,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"27","issue":"4","first_page":"305","last_page":"319"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":1.0,"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"}},"topics":[{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":1.0,"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"}},{"id":"https://openalex.org/T10814","display_name":"Neuropeptides and Animal Physiology","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10056","display_name":"Neurotransmitter Receptor Influence on Behavior","score":0.9983000159263611,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/pharmacophore","display_name":"Pharmacophore","score":0.9757627844810486},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6040260195732117},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.5770715475082397},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5468809008598328},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.5452010631561279},{"id":"https://openalex.org/keywords/radioligand","display_name":"Radioligand","score":0.4811171889305115},{"id":"https://openalex.org/keywords/affinities","display_name":"Affinities","score":0.4375153183937073},{"id":"https://openalex.org/keywords/binding-affinities","display_name":"Binding affinities","score":0.4205477833747864},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.3948777914047241},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.3793209195137024},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.3305009603500366},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.22720584273338318},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.21303194761276245}],"concepts":[{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.9757627844810486},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6040260195732117},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.5770715475082397},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5468809008598328},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.5452010631561279},{"id":"https://openalex.org/C67847695","wikidata":"https://www.wikidata.org/wiki/Q626478","display_name":"Radioligand","level":3,"score":0.4811171889305115},{"id":"https://openalex.org/C2780283098","wikidata":"https://www.wikidata.org/wiki/Q4688960","display_name":"Affinities","level":2,"score":0.4375153183937073},{"id":"https://openalex.org/C3018795828","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Binding affinities","level":3,"score":0.4205477833747864},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3948777914047241},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3793209195137024},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.3305009603500366},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.22720584273338318},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.21303194761276245}],"mesh":[{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002522","descriptor_name":"Chlorocebus aethiops","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002522","descriptor_name":"Chlorocebus aethiops","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002522","descriptor_name":"Chlorocebus aethiops","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":"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":"D011869","descriptor_name":"Radioligand Assay","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011869","descriptor_name":"Radioligand Assay","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011869","descriptor_name":"Radioligand Assay","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019556","descriptor_name":"COS Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019556","descriptor_name":"COS Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019556","descriptor_name":"COS Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D044282","descriptor_name":"Receptor, Serotonin, 5-HT1A","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D044282","descriptor_name":"Receptor, Serotonin, 5-HT1A","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D044282","descriptor_name":"Receptor, Serotonin, 5-HT1A","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D058825","descriptor_name":"Serotonin 5-HT1 Receptor Agonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D058825","descriptor_name":"Serotonin 5-HT1 Receptor Agonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D058825","descriptor_name":"Serotonin 5-HT1 Receptor Agonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D058825","descriptor_name":"Serotonin 5-HT1 Receptor Agonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D058825","descriptor_name":"Serotonin 5-HT1 Receptor Agonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D058825","descriptor_name":"Serotonin 5-HT1 Receptor Agonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D058829","descriptor_name":"Serotonin 5-HT1 Receptor Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D058829","descriptor_name":"Serotonin 5-HT1 Receptor Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D058829","descriptor_name":"Serotonin 5-HT1 Receptor Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D058829","descriptor_name":"Serotonin 5-HT1 Receptor Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D058829","descriptor_name":"Serotonin 5-HT1 Receptor Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D058829","descriptor_name":"Serotonin 5-HT1 Receptor Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-013-9647-5","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-013-9647-5","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:23625023","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23625023","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 computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.5600000023841858,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":78,"referenced_works":["https://openalex.org/W156547202","https://openalex.org/W1495834546","https://openalex.org/W1566094751","https://openalex.org/W1640337403","https://openalex.org/W1751417589","https://openalex.org/W1823527954","https://openalex.org/W1871392504","https://openalex.org/W1887619989","https://openalex.org/W1917454581","https://openalex.org/W1963683072","https://openalex.org/W1963932947","https://openalex.org/W1967199121","https://openalex.org/W1969877181","https://openalex.org/W1970389489","https://openalex.org/W1970981586","https://openalex.org/W1971681882","https://openalex.org/W1974043094","https://openalex.org/W1979254549","https://openalex.org/W1983806063","https://openalex.org/W1985689558","https://openalex.org/W1992281684","https://openalex.org/W1994761648","https://openalex.org/W1996877390","https://openalex.org/W1997020039","https://openalex.org/W1998274141","https://openalex.org/W2000223105","https://openalex.org/W2004944991","https://openalex.org/W2006460397","https://openalex.org/W2007496507","https://openalex.org/W2008872777","https://openalex.org/W2009056724","https://openalex.org/W2014046162","https://openalex.org/W2020601776","https://openalex.org/W2021663918","https://openalex.org/W2022486586","https://openalex.org/W2023219634","https://openalex.org/W2025315044","https://openalex.org/W2035178250","https://openalex.org/W2036025685","https://openalex.org/W2038620130","https://openalex.org/W2042016938","https://openalex.org/W2048869098","https://openalex.org/W2050596412","https://openalex.org/W2053025686","https://openalex.org/W2054369150","https://openalex.org/W2061632186","https://openalex.org/W2063494908","https://openalex.org/W2065060087","https://openalex.org/W2066580628","https://openalex.org/W2068637155","https://openalex.org/W2071460857","https://openalex.org/W2073528243","https://openalex.org/W2074309655","https://openalex.org/W2076686084","https://openalex.org/W2078092755","https://openalex.org/W2080160290","https://openalex.org/W2080484136","https://openalex.org/W2082244120","https://openalex.org/W2083445063","https://openalex.org/W2083848896","https://openalex.org/W2094683887","https://openalex.org/W2096874206","https://openalex.org/W2102460175","https://openalex.org/W2107673494","https://openalex.org/W2108886007","https://openalex.org/W2118865186","https://openalex.org/W2126199231","https://openalex.org/W2128635872","https://openalex.org/W2130322124","https://openalex.org/W2137638828","https://openalex.org/W2138512826","https://openalex.org/W2149563853","https://openalex.org/W2151011654","https://openalex.org/W2290551896","https://openalex.org/W2403110410","https://openalex.org/W2949783055","https://openalex.org/W2950815045","https://openalex.org/W4293247451"],"related_works":["https://openalex.org/W2000397010","https://openalex.org/W2115078847","https://openalex.org/W2062768126","https://openalex.org/W2969563261","https://openalex.org/W2061401330","https://openalex.org/W3041915240","https://openalex.org/W2055137136","https://openalex.org/W2077097504","https://openalex.org/W2080809815","https://openalex.org/W2586171341"],"abstract_inverted_index":null,"counts_by_year":[{"year":2020,"cited_by_count":2},{"year":2018,"cited_by_count":2},{"year":2016,"cited_by_count":2},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":2}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}
