{"id":"https://openalex.org/W1973012452","doi":"https://doi.org/10.1002/qua.560260719","title":"Theoretical and experimental studies of drug-receptor interactions: Determinants for recognition of 5-hydroxytryptamine analogs","display_name":"Theoretical and experimental studies of drug-receptor interactions: Determinants for recognition of 5-hydroxytryptamine analogs","publication_year":1984,"publication_date":"1984-03-12","ids":{"openalex":"https://openalex.org/W1973012452","doi":"https://doi.org/10.1002/qua.560260719","mag":"1973012452"},"language":"en","primary_location":{"id":"doi:10.1002/qua.560260719","doi":"https://doi.org/10.1002/qua.560260719","is_oa":false,"landing_page_url":"https://doi.org/10.1002/qua.560260719","pdf_url":null,"source":{"id":"https://openalex.org/S167203149","display_name":"International Journal of Quantum Chemistry","issn_l":"0020-7608","issn":["0020-7608","1097-461X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Quantum Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","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/A5109308352","display_name":"Aleksander Pawe\u0142 Mazurek","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I174216632","display_name":"City University of New York","ror":"https://ror.org/00453a208","country_code":"US","type":"education","lineage":["https://openalex.org/I174216632"]},{"id":"https://openalex.org/I98704320","display_name":"Icahn School of Medicine at Mount Sinai","ror":"https://ror.org/04a9tmd77","country_code":"US","type":"education","lineage":["https://openalex.org/I1320796813","https://openalex.org/I98704320"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Aleksander P. Mazurek","raw_affiliation_strings":["Department of Pharmacology, Mount Sinai School of Medicine of the City University of New York, New York, New York 10029"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, Mount Sinai School of Medicine of the City University of New York, New York, New York 10029","institution_ids":["https://openalex.org/I174216632","https://openalex.org/I98704320"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014370221","display_name":"Harel Weinstein","orcid":"https://orcid.org/0000-0003-3473-9818","observed_orcids":["https://orcid.org/0000-0003-3473-9818"]},"institutions":[{"id":"https://openalex.org/I174216632","display_name":"City University of New York","ror":"https://ror.org/00453a208","country_code":"US","type":"education","lineage":["https://openalex.org/I174216632"]},{"id":"https://openalex.org/I98704320","display_name":"Icahn School of Medicine at Mount Sinai","ror":"https://ror.org/04a9tmd77","country_code":"US","type":"education","lineage":["https://openalex.org/I1320796813","https://openalex.org/I98704320"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Harel Weinstein","raw_affiliation_strings":["Department of Pharmacology, Mount Sinai School of Medicine of the City University of New York, New York, New York 10029"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, Mount Sinai School of Medicine of the City University of New York, New York, New York 10029","institution_ids":["https://openalex.org/I174216632","https://openalex.org/I98704320"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109900829","display_name":"Roman Osman","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I174216632","display_name":"City University of New York","ror":"https://ror.org/00453a208","country_code":"US","type":"education","lineage":["https://openalex.org/I174216632"]},{"id":"https://openalex.org/I98704320","display_name":"Icahn School of Medicine at Mount Sinai","ror":"https://ror.org/04a9tmd77","country_code":"US","type":"education","lineage":["https://openalex.org/I1320796813","https://openalex.org/I98704320"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Roman Osman","raw_affiliation_strings":["Department of Pharmacology, Mount Sinai School of Medicine of the City University of New York, New York, New York 10029"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, Mount Sinai School of Medicine of the City University of New York, New York, New York 10029","institution_ids":["https://openalex.org/I174216632","https://openalex.org/I98704320"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055148490","display_name":"Sid Topiol","orcid":"https://orcid.org/0000-0002-2574-4204","observed_orcids":["https://orcid.org/0000-0002-2574-4204"]},"institutions":[{"id":"https://openalex.org/I174216632","display_name":"City University of New York","ror":"https://ror.org/00453a208","country_code":"US","type":"education","lineage":["https://openalex.org/I174216632"]},{"id":"https://openalex.org/I98704320","display_name":"Icahn School of Medicine at Mount Sinai","ror":"https://ror.org/04a9tmd77","country_code":"US","type":"education","lineage":["https://openalex.org/I1320796813","https://openalex.org/I98704320"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sid Topiol","raw_affiliation_strings":["Department of Pharmacology, Mount Sinai School of Medicine of the City University of New York, New York, New York 10029"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, Mount Sinai School of Medicine of the City University of New York, New York, New York 10029","institution_ids":["https://openalex.org/I174216632","https://openalex.org/I98704320"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5020230004","display_name":"Barbara Jones Ebersole","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I174216632","display_name":"City University of New York","ror":"https://ror.org/00453a208","country_code":"US","type":"education","lineage":["https://openalex.org/I174216632"]},{"id":"https://openalex.org/I98704320","display_name":"Icahn School of Medicine at Mount Sinai","ror":"https://ror.org/04a9tmd77","country_code":"US","type":"education","lineage":["https://openalex.org/I1320796813","https://openalex.org/I98704320"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Barbara Jones Ebersole","raw_affiliation_strings":["Department of Pharmacology, Mount Sinai School of Medicine of the City University of New York, New York, New York 10029"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, Mount Sinai School of Medicine of the City University of New York, New York, New York 10029","institution_ids":["https://openalex.org/I174216632","https://openalex.org/I98704320"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3720,"currency":"USD","value_usd":3720},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":12,"citation_normalized_percentile":{"value":0.05587134,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"26","issue":"S11","first_page":"183","last_page":"194"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.5220000147819519,"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":0.5220000147819519,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.28220000863075256,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10056","display_name":"Neurotransmitter Receptor Influence on Behavior","score":0.07559999823570251,"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/serotonin","display_name":"serotonin","score":0.9419999718666077},{"id":"https://openalex.org/keywords/serotonin-receptors","display_name":"serotonin receptors","score":0.7710000276565552},{"id":"https://openalex.org/keywords/drug-receptor-interactions","display_name":"drug-receptor interactions","score":0.7889999747276306},{"id":"https://openalex.org/keywords/receptor-recognition","display_name":"receptor recognition","score":0.5509999990463257},{"id":"https://openalex.org/keywords/side-chain-conformation","display_name":"side-chain conformation","score":0.7689999938011169},{"id":"https://openalex.org/keywords/hydrogen-bonding","display_name":"hydrogen bonding","score":0.9549999833106995},{"id":"https://openalex.org/keywords/binding-affinity","display_name":"binding affinity","score":0.7419999837875366},{"id":"https://openalex.org/keywords/brain-membranes","display_name":"brain membranes","score":0.5820000171661377},{"id":"https://openalex.org/keywords/ab-initio-molecular-orbital-calculations","display_name":"ab initio molecular orbital calculations","score":0.6880000233650208}],"concepts":[{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.6248771548271179},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5081808567047119},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.4182933270931244},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.39796173572540283},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3608202338218689},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3571474552154541},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.32298731803894043},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.24027583003044128},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.19331791996955872}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/qua.560260719","doi":"https://doi.org/10.1002/qua.560260719","is_oa":false,"landing_page_url":"https://doi.org/10.1002/qua.560260719","pdf_url":null,"source":{"id":"https://openalex.org/S167203149","display_name":"International Journal of Quantum Chemistry","issn_l":"0020-7608","issn":["0020-7608","1097-461X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Quantum Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320309102","display_name":"City University of New York","ror":"https://ror.org/00453a208"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320332505","display_name":"U.S. Public Health Service","ror":"https://ror.org/05xf94514"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":17,"referenced_works":["https://openalex.org/W190184029","https://openalex.org/W199481543","https://openalex.org/W1977160384","https://openalex.org/W1980417767","https://openalex.org/W1996786961","https://openalex.org/W2005695502","https://openalex.org/W2006787354","https://openalex.org/W2012658640","https://openalex.org/W2029495454","https://openalex.org/W2038390609","https://openalex.org/W2051865185","https://openalex.org/W2079473982","https://openalex.org/W2083223695","https://openalex.org/W2133497220","https://openalex.org/W2133524519","https://openalex.org/W2158294982","https://openalex.org/W2477409058"],"related_works":["https://openalex.org/W2048935643","https://openalex.org/W2058503977","https://openalex.org/W1975487054","https://openalex.org/W2045635112","https://openalex.org/W2419498092","https://openalex.org/W6949253520","https://openalex.org/W1906537837","https://openalex.org/W2948177903","https://openalex.org/W2047067951","https://openalex.org/W2005997645"],"abstract_inverted_index":{"Experimental":[0],"studies":[1],"on":[2],"5-hydroxytryptamine":[3],"(5-HT)":[4],"and":[5,21,79,89,113,120,183],"its":[6],"congeners":[7],"have":[8],"shown":[9],"these":[10,38,217],"compounds":[11,43],"to":[12,46,76,91,168],"interact":[13],"with":[14,74,118,142,166],"the":[15,26,29,33,50,66,69,77,84,92,95,111,135,140,143,153,157,163,169,178,184],"same":[16],"receptors":[17],"in":[18,22,48,54,64,82,103,162,202],"peripheral":[19],"tissues":[20],"brain.":[23],"To":[24],"evaluate":[25],"importance":[27],"of":[28,32,68,110],"relative":[30],"position":[31,67,97],"5-HT-like":[34],"recognition":[35,56],"elements":[36,52,137],"at":[37,94,100,152,186,196],"receptors,":[39],"we":[40],"studied":[41],"two":[42],"structurally":[44],"related":[45],"5-HT":[47,144,154,199],"which":[49,65,83,205],"structural":[51,125],"involved":[53],"receptor":[55,155],"are":[57],"positioned":[58],"differently":[59],"from":[60,191],"5-HT:":[61],"5-hydroxyaminotetrahydrobenzindole":[62],"(FHATHBIN)":[63],"side":[70,85,158,179],"chain":[71,86,159,180],"is":[72,87,160],"fixed":[73],"respect":[75,167],"indole,":[78],"4(\u03b2-aminoethyl)-5-hydroxyindole":[80],"(FAEFHI)":[81],"flexible,":[88],"connected":[90],"indole":[93,170],"C4":[96],"(rather":[98],"than":[99],"C3":[101],"as":[102],"5-HT).":[104],"Ab":[105],"initio":[106],"molecular":[107],"orbital":[108],"calculations":[109],"molecules":[112],"model":[114],"fragments":[115],"were":[116],"performed":[117],"STO-3G":[119],"3-21G":[121],"basis":[122],"sets,":[123],"using":[124],"optimization":[126],"procedures.":[127],"The":[128],"results":[129,190],"show":[130],"that":[131,147,211],"both":[132],"structures":[133],"possess":[134],"reactivity":[136],"required":[138],"for":[139,194,216],"interaction":[141],"receptor,":[145],"but":[146],"FAEFHI":[148,212],"cannot":[149],"be":[150],"recognized":[151],"because":[156],"held":[161],"wrong":[164],"conformation":[165],"portion":[171],"by":[172,209],"a":[173],"strong":[174],"hydrogen":[175],"bond":[176],"between":[177],"amine":[181],"group":[182],"hydroxyl":[185],"C5.":[187],"We":[188],"report":[189],"competition":[192],"experiments":[193],"binding":[195,200],"high":[197],"affinity":[198,215],"sites":[201],"brain":[203],"membranes":[204],"support":[206],"this":[207],"conclusion":[208],"showing":[210],"has":[213],"low":[214],"sites.":[218]},"counts_by_year":[{"year":2016,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2016-06-24T00:00:00"}