{"id":"https://openalex.org/W1576588384","doi":"https://doi.org/10.1023/a:1008168127539","title":"Development of a unique 3D interaction model of endogenous and synthetic peripheral benzodiazepine receptor ligands","display_name":"Development of a unique 3D interaction model of endogenous and synthetic peripheral benzodiazepine receptor ligands","publication_year":2000,"publication_date":"2000-11-01","ids":{"openalex":"https://openalex.org/W1576588384","doi":"https://doi.org/10.1023/a:1008168127539","mag":"1576588384","pmid":"https://pubmed.ncbi.nlm.nih.gov/11131968"},"language":"en","primary_location":{"id":"doi:10.1023/a:1008168127539","is_oa":false,"landing_page_url":"https://doi.org/10.1023/a:1008168127539","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/A5081069765","display_name":"Nunzia Cinone","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Nunzia Cinone","raw_affiliation_strings":["Dipartimento Farmaco Chimico, Universit\u00e0 degli Studi di Bari, Italy","Dipartimento Farmaco-Chimico, Universita degli Studi di Bari, bari, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento Farmaco Chimico, Universit\u00e0 degli Studi di Bari, Italy","institution_ids":[]},{"raw_affiliation_string":"Dipartimento Farmaco-Chimico, Universita degli Studi di Bari, bari, Italy","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110896508","display_name":"Hans\u2010Dieter H\u00f6ltje","orcid":null},"institutions":[{"id":"https://openalex.org/I44260953","display_name":"Heinrich Heine University D\u00fcsseldorf","ror":"https://ror.org/024z2rq82","country_code":"DE","type":"education","lineage":["https://openalex.org/I44260953"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Hans-Dieter H\u00f6ltje","raw_affiliation_strings":["Institute of Pharmaceutical Chemistry, Heinrich-Heine-University D\u00fcsseldorf, Universit\u00e4tsstrasse\u00a01, D-40225, D\u00fcsseldorf, Germany","Institute of Pharmaceutical Chemistry, Heinrich-Heine-University D\u00fcsseldorf, D\u00fcsseldorf, Germany"],"affiliations":[{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, Heinrich-Heine-University D\u00fcsseldorf, Universit\u00e4tsstrasse\u00a01, D-40225, D\u00fcsseldorf, Germany","institution_ids":["https://openalex.org/I44260953"]},{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, Heinrich-Heine-University D\u00fcsseldorf, D\u00fcsseldorf, Germany","institution_ids":["https://openalex.org/I44260953"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5087208103","display_name":"Angelo Carotti","orcid":null},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Angelo Carotti","raw_affiliation_strings":["Dipartimento Farmaco Chimico, Universit\u00e0 degli Studi di Bari, via E. Orabona\u00a04, I-70125\u00a0, Bari, Italy","Dipartimento Farmaco-Chimico, Universita degli Studi di Bari, bari, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento Farmaco Chimico, Universit\u00e0 degli Studi di Bari, via E. Orabona\u00a04, I-70125\u00a0, Bari, Italy","institution_ids":["https://openalex.org/I5561750"]},{"raw_affiliation_string":"Dipartimento Farmaco-Chimico, Universita degli Studi di Bari, bari, Italy","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5081069765"],"corresponding_institution_ids":[],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.8528,"has_fulltext":false,"cited_by_count":28,"citation_normalized_percentile":{"value":0.71238273,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"14","issue":"8","first_page":"753","last_page":"768"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9965999722480774,"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/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9965999722480774,"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/T10077","display_name":"Neuroscience and Neuropharmacology Research","score":0.9948999881744385,"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":0.992900013923645,"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/chemistry","display_name":"Chemistry","score":0.6891489028930664},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.6410173177719116},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.629511296749115},{"id":"https://openalex.org/keywords/rational-design","display_name":"Rational design","score":0.5678855776786804},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.5470455884933472},{"id":"https://openalex.org/keywords/molecular-model","display_name":"Molecular model","score":0.5420132875442505},{"id":"https://openalex.org/keywords/gabaa-receptor","display_name":"GABAA receptor","score":0.5129899382591248},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.48572617769241333},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.47759366035461426},{"id":"https://openalex.org/keywords/endogeny","display_name":"Endogeny","score":0.45934563875198364},{"id":"https://openalex.org/keywords/amino-acid","display_name":"Amino acid","score":0.4264020621776581},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.3499802052974701},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2308545708656311},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.15213701128959656}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6891489028930664},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.6410173177719116},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.629511296749115},{"id":"https://openalex.org/C53105671","wikidata":"https://www.wikidata.org/wiki/Q14777816","display_name":"Rational design","level":2,"score":0.5678855776786804},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.5470455884933472},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.5420132875442505},{"id":"https://openalex.org/C168258287","wikidata":"https://www.wikidata.org/wiki/Q60147","display_name":"GABAA receptor","level":3,"score":0.5129899382591248},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.48572617769241333},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.47759366035461426},{"id":"https://openalex.org/C16613235","wikidata":"https://www.wikidata.org/wiki/Q285982","display_name":"Endogeny","level":2,"score":0.45934563875198364},{"id":"https://openalex.org/C515207424","wikidata":"https://www.wikidata.org/wiki/Q8066","display_name":"Amino acid","level":2,"score":0.4264020621776581},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.3499802052974701},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2308545708656311},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.15213701128959656},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","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":"D000818","descriptor_name":"Animals","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":"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":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":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011963","descriptor_name":"Receptors, GABA-A","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011963","descriptor_name":"Receptors, GABA-A","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011963","descriptor_name":"Receptors, GABA-A","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017386","descriptor_name":"Sequence Homology, Amino Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017386","descriptor_name":"Sequence Homology, Amino Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017386","descriptor_name":"Sequence Homology, Amino Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1023/a:1008168127539","is_oa":false,"landing_page_url":"https://doi.org/10.1023/a:1008168127539","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:11131968","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/11131968","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":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":55,"referenced_works":["https://openalex.org/W59676034","https://openalex.org/W162638266","https://openalex.org/W604621907","https://openalex.org/W1519074143","https://openalex.org/W1963679945","https://openalex.org/W1969572549","https://openalex.org/W1971983398","https://openalex.org/W1973269398","https://openalex.org/W1974821136","https://openalex.org/W1976397232","https://openalex.org/W1980017694","https://openalex.org/W1983684735","https://openalex.org/W1984569735","https://openalex.org/W1985982340","https://openalex.org/W1987893453","https://openalex.org/W1990263391","https://openalex.org/W1995117245","https://openalex.org/W1998782430","https://openalex.org/W2002617014","https://openalex.org/W2002869446","https://openalex.org/W2005008560","https://openalex.org/W2006000052","https://openalex.org/W2007618885","https://openalex.org/W2008708467","https://openalex.org/W2011643768","https://openalex.org/W2020710496","https://openalex.org/W2023046056","https://openalex.org/W2036457377","https://openalex.org/W2036948274","https://openalex.org/W2048172075","https://openalex.org/W2049262563","https://openalex.org/W2063060349","https://openalex.org/W2064342065","https://openalex.org/W2065389953","https://openalex.org/W2067000587","https://openalex.org/W2067071469","https://openalex.org/W2071506155","https://openalex.org/W2080653934","https://openalex.org/W2087384563","https://openalex.org/W2088603936","https://openalex.org/W2094186244","https://openalex.org/W2103734924","https://openalex.org/W2115106907","https://openalex.org/W2115295332","https://openalex.org/W2116763695","https://openalex.org/W2118868944","https://openalex.org/W2134855688","https://openalex.org/W2160186899","https://openalex.org/W2169340902","https://openalex.org/W2238506399","https://openalex.org/W2395095581","https://openalex.org/W2396340985","https://openalex.org/W2466777524","https://openalex.org/W2620510139","https://openalex.org/W3150673827"],"related_works":["https://openalex.org/W2382340815","https://openalex.org/W1972650408","https://openalex.org/W2551736466","https://openalex.org/W1997566113","https://openalex.org/W3189652131","https://openalex.org/W2908740012","https://openalex.org/W1967793880","https://openalex.org/W2792066564","https://openalex.org/W1965106906","https://openalex.org/W2056108015"],"abstract_inverted_index":null,"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2019,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}