{"id":"https://openalex.org/W2012791275","doi":"https://doi.org/10.1007/bf00124362","title":"Computer-aided structure-affinity relationships in a set of piperazine and 3,8-diazabicyclo[3.2.1]octane derivatives binding to the ?-opioid receptor","display_name":"Computer-aided structure-affinity relationships in a set of piperazine and 3,8-diazabicyclo[3.2.1]octane derivatives binding to the ?-opioid receptor","publication_year":1993,"publication_date":"1993-10-01","ids":{"openalex":"https://openalex.org/W2012791275","doi":"https://doi.org/10.1007/bf00124362","mag":"2012791275","pmid":"https://pubmed.ncbi.nlm.nih.gov/8294946"},"language":"en","primary_location":{"id":"doi:10.1007/bf00124362","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00124362","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/A5053651486","display_name":"Daniela Barlocco","orcid":"https://orcid.org/0000-0002-8593-1853"},"institutions":[{"id":"https://openalex.org/I189158943","display_name":"University of Milan","ror":"https://ror.org/00wjc7c48","country_code":"IT","type":"education","lineage":["https://openalex.org/I189158943"]},{"id":"https://openalex.org/I4210133672","display_name":"Istituto di Farmacologia Traslazionale","ror":"https://ror.org/03ta8pf33","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210133672","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I4210141525","display_name":"Istituto Psicoanalitico per le Ricerche Sociali","ror":"https://ror.org/058a2r903","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210141525"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Daniela Barlocco","raw_affiliation_strings":["Istituto Chimico Farmaceutico e Tossicologico, Universit\u00e0 degli Studi di Milan, Italy","Istituto Chimico Farmaceutico e Tossicologico, Universit\u00e0 degli Studi di Milan, Milan, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Istituto Chimico Farmaceutico e Tossicologico, Universit\u00e0 degli Studi di Milan, Italy","institution_ids":["https://openalex.org/I4210133672","https://openalex.org/I4210141525"]},{"raw_affiliation_string":"Istituto Chimico Farmaceutico e Tossicologico, Universit\u00e0 degli Studi di Milan, Milan, Italy","institution_ids":["https://openalex.org/I189158943"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007984291","display_name":"Giorgio Cignarella","orcid":null},"institutions":[{"id":"https://openalex.org/I189158943","display_name":"University of Milan","ror":"https://ror.org/00wjc7c48","country_code":"IT","type":"education","lineage":["https://openalex.org/I189158943"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Giorgio Cignarella","raw_affiliation_strings":["Istituto Chimico Farmaceutico e Tossicologico, Universit\u00e0 degli Studi di Milan, Viale Abruzzi 42, 20131, Milan, Italy","Istituto Chimico Farmaceutico e Tossicologico, Universit\u00e0 degli Studi di Milan, Milan, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Istituto Chimico Farmaceutico e Tossicologico, Universit\u00e0 degli Studi di Milan, Viale Abruzzi 42, 20131, Milan, Italy","institution_ids":["https://openalex.org/I189158943"]},{"raw_affiliation_string":"Istituto Chimico Farmaceutico e Tossicologico, Universit\u00e0 degli Studi di Milan, Milan, Italy","institution_ids":["https://openalex.org/I189158943"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051863495","display_name":"Giovanni Greco","orcid":"https://orcid.org/0000-0002-4632-4620"},"institutions":[{"id":"https://openalex.org/I71267560","display_name":"University of Naples Federico II","ror":"https://ror.org/05290cv24","country_code":"IT","type":"education","lineage":["https://openalex.org/I71267560"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Giovanni Greco","raw_affiliation_strings":["Dipartimento di Chimica Farmaceutica e Tossicologica, Universit\u00e0 degli Studi di Napoli, Via D. Montesano 49, 80131, Naples, Italy","Dipartimento di Chimica Farmaceutica e Tossicologica, Universit\u00e0 degli Studi di Napoli, Naples, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica Farmaceutica e Tossicologica, Universit\u00e0 degli Studi di Napoli, Via D. Montesano 49, 80131, Naples, Italy","institution_ids":["https://openalex.org/I71267560"]},{"raw_affiliation_string":"Dipartimento di Chimica Farmaceutica e Tossicologica, Universit\u00e0 degli Studi di Napoli, Naples, Italy","institution_ids":["https://openalex.org/I71267560"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5040940946","display_name":"Ettore Novellino","orcid":"https://orcid.org/0000-0002-2181-2142"},"institutions":[{"id":"https://openalex.org/I71267560","display_name":"University of Naples Federico II","ror":"https://ror.org/05290cv24","country_code":"IT","type":"education","lineage":["https://openalex.org/I71267560"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Ettore Novellino","raw_affiliation_strings":["Dipartimento di Chimica Farmaceutica e Tossicologica, Universit\u00e0 degli Studi di Napoli, Via D. Montesano 49, 80131, Naples, Italy","Dipartimento di Chimica Farmaceutica e Tossicologica, Universit\u00e0 degli Studi di Napoli, Naples, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica Farmaceutica e Tossicologica, Universit\u00e0 degli Studi di Napoli, Via D. Montesano 49, 80131, Naples, Italy","institution_ids":["https://openalex.org/I71267560"]},{"raw_affiliation_string":"Dipartimento di Chimica Farmaceutica e Tossicologica, Universit\u00e0 degli Studi di Napoli, Naples, Italy","institution_ids":["https://openalex.org/I71267560"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.14,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.42234002,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"7","issue":"5","first_page":"557","last_page":"571"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13047","display_name":"Pharmacological Receptor Mechanisms and Effects","score":0.9991999864578247,"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/T13047","display_name":"Pharmacological Receptor Mechanisms and Effects","score":0.9991999864578247,"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":0.9987999796867371,"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9987000226974487,"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/octane","display_name":"Octane","score":0.7366953492164612},{"id":"https://openalex.org/keywords/piperazine","display_name":"Piperazine","score":0.7113484740257263},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.7024903893470764},{"id":"https://openalex.org/keywords/steric-effects","display_name":"Steric effects","score":0.6392222046852112},{"id":"https://openalex.org/keywords/molecular-mechanics","display_name":"Molecular mechanics","score":0.6383508443832397},{"id":"https://openalex.org/keywords/hydrogen-bond","display_name":"Hydrogen bond","score":0.5717231631278992},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.5509299039840698},{"id":"https://openalex.org/keywords/ring","display_name":"Ring (chemistry)","score":0.509828507900238},{"id":"https://openalex.org/keywords/opioid-receptor","display_name":"Opioid receptor","score":0.5048690438270569},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.4583001732826233},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.4504011869430542},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.3479214906692505},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.3361290693283081},{"id":"https://openalex.org/keywords/opioid","display_name":"Opioid","score":0.3313766419887543},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.1939215064048767},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.12875664234161377}],"concepts":[{"id":"https://openalex.org/C2776624427","wikidata":"https://www.wikidata.org/wiki/Q150681","display_name":"Octane","level":2,"score":0.7366953492164612},{"id":"https://openalex.org/C2776201271","wikidata":"https://www.wikidata.org/wiki/Q409292","display_name":"Piperazine","level":2,"score":0.7113484740257263},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7024903893470764},{"id":"https://openalex.org/C201194858","wikidata":"https://www.wikidata.org/wiki/Q898238","display_name":"Steric effects","level":2,"score":0.6392222046852112},{"id":"https://openalex.org/C25057246","wikidata":"https://www.wikidata.org/wiki/Q1344441","display_name":"Molecular mechanics","level":3,"score":0.6383508443832397},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.5717231631278992},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.5509299039840698},{"id":"https://openalex.org/C2780378348","wikidata":"https://www.wikidata.org/wiki/Q25351438","display_name":"Ring (chemistry)","level":2,"score":0.509828507900238},{"id":"https://openalex.org/C2779886867","wikidata":"https://www.wikidata.org/wiki/Q421797","display_name":"Opioid receptor","level":4,"score":0.5048690438270569},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4583001732826233},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.4504011869430542},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.3479214906692505},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3361290693283081},{"id":"https://openalex.org/C2781063702","wikidata":"https://www.wikidata.org/wiki/Q427523","display_name":"Opioid","level":3,"score":0.3313766419887543},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1939215064048767},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.12875664234161377}],"mesh":[{"descriptor_ui":"D001643","descriptor_name":"Bridged Bicyclo Compounds","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001643","descriptor_name":"Bridged Bicyclo Compounds","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001643","descriptor_name":"Bridged Bicyclo Compounds","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001643","descriptor_name":"Bridged Bicyclo Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001643","descriptor_name":"Bridged Bicyclo Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001643","descriptor_name":"Bridged Bicyclo Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","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":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017450","descriptor_name":"Receptors, Opioid, mu","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017450","descriptor_name":"Receptors, Opioid, mu","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017450","descriptor_name":"Receptors, Opioid, mu","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017465","descriptor_name":"Receptors, Opioid, delta","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017465","descriptor_name":"Receptors, Opioid, delta","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017465","descriptor_name":"Receptors, Opioid, delta","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/bf00124362","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00124362","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:8294946","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/8294946","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":[{"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6","score":0.46000000834465027}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":21,"referenced_works":["https://openalex.org/W7619323","https://openalex.org/W1824408751","https://openalex.org/W1837865515","https://openalex.org/W1863682800","https://openalex.org/W1968161839","https://openalex.org/W1973696101","https://openalex.org/W1974359950","https://openalex.org/W1980417767","https://openalex.org/W1999919337","https://openalex.org/W2002869446","https://openalex.org/W2017469000","https://openalex.org/W2023564951","https://openalex.org/W2028012756","https://openalex.org/W2035070972","https://openalex.org/W2042687048","https://openalex.org/W2071252778","https://openalex.org/W2077973224","https://openalex.org/W2092326582","https://openalex.org/W2175148896","https://openalex.org/W2407407473","https://openalex.org/W4241991557"],"related_works":["https://openalex.org/W1991310507","https://openalex.org/W2440041482","https://openalex.org/W3032942734","https://openalex.org/W2187407093","https://openalex.org/W1966259035","https://openalex.org/W2118186952","https://openalex.org/W2799981155","https://openalex.org/W2786599049","https://openalex.org/W1975455548","https://openalex.org/W2952865208"],"abstract_inverted_index":null,"counts_by_year":[{"year":2020,"cited_by_count":1}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2016-06-24T00:00:00"}