{"id":"https://openalex.org/W1629019871","doi":"https://doi.org/10.1021/acs.jcim.5b00388","title":"Ligand-Based Discovery of a New Scaffold for Allosteric Modulation of the \u03bc-Opioid Receptor","display_name":"Ligand-Based Discovery of a New Scaffold for Allosteric Modulation of the \u03bc-Opioid Receptor","publication_year":2015,"publication_date":"2015-09-08","ids":{"openalex":"https://openalex.org/W1629019871","doi":"https://doi.org/10.1021/acs.jcim.5b00388","mag":"1629019871","pmid":"https://pubmed.ncbi.nlm.nih.gov/26347990"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5b00388","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00388","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/A5054421536","display_name":"Paola Bisignano","orcid":"https://orcid.org/0000-0003-1789-762X"},"institutions":[{"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":true,"raw_author_name":"Paola Bisignano","raw_affiliation_strings":["Department\rof Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai, New York, New York 10029, United States","Department of Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai , New York, New York 10029, United States"],"affiliations":[{"raw_affiliation_string":"Department\rof Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai, New York, New York 10029, United States","institution_ids":["https://openalex.org/I98704320"]},{"raw_affiliation_string":"Department of Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai , New York, New York 10029, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055625413","display_name":"Neil T. Burford","orcid":null},"institutions":[{"id":"https://openalex.org/I4210091812","display_name":"Bristol-Myers Squibb (United States)","ror":"https://ror.org/00gtmwv55","country_code":"US","type":"company","lineage":["https://openalex.org/I4210091812"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Neil T. Burford","raw_affiliation_strings":["Discovery, Bristol-Myers Squibb Company, Wallingford, Connecticut 06492, United States","Discovery, Bristol-Myers Squibb Company , Wallingford, Connecticut 06492, United States"],"affiliations":[{"raw_affiliation_string":"Discovery, Bristol-Myers Squibb Company, Wallingford, Connecticut 06492, United States","institution_ids":["https://openalex.org/I4210091812"]},{"raw_affiliation_string":"Discovery, Bristol-Myers Squibb Company , Wallingford, Connecticut 06492, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057883374","display_name":"Yi Shang","orcid":"https://orcid.org/0000-0001-7771-4034"},"institutions":[{"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":"Yi Shang","raw_affiliation_strings":["Department\rof Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai, New York, New York 10029, United States","Department of Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai , New York, New York 10029, United States"],"affiliations":[{"raw_affiliation_string":"Department\rof Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai, New York, New York 10029, United States","institution_ids":["https://openalex.org/I98704320"]},{"raw_affiliation_string":"Department of Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai , New York, New York 10029, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037737691","display_name":"Brennica Marlow","orcid":"https://orcid.org/0000-0002-6811-9951"},"institutions":[{"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":"Brennica Marlow","raw_affiliation_strings":["Department\rof Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai, New York, New York 10029, United States","Department of Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai , New York, New York 10029, United States"],"affiliations":[{"raw_affiliation_string":"Department\rof Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai, New York, New York 10029, United States","institution_ids":["https://openalex.org/I98704320"]},{"raw_affiliation_string":"Department of Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai , New York, New York 10029, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058049840","display_name":"Kathryn E. Livingston","orcid":"https://orcid.org/0000-0002-8652-4045"},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan\u2013Ann Arbor","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kathryn E. Livingston","raw_affiliation_strings":["Department\rof Pharmacology, University of Michigan Medical School, Ann Arbor, Michigan 48109, United States","Department of Pharmacology, University of Michigan Medical School, Ann Arbor, Michigan 48109, United States,"],"affiliations":[{"raw_affiliation_string":"Department\rof Pharmacology, University of Michigan Medical School, Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]},{"raw_affiliation_string":"Department of Pharmacology, University of Michigan Medical School, Ann Arbor, Michigan 48109, United States,","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069482862","display_name":"Abigail M. Fenton","orcid":null},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan\u2013Ann Arbor","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Abigail M. Fenton","raw_affiliation_strings":["Department\rof Pharmacology, University of Michigan Medical School, Ann Arbor, Michigan 48109, United States","Department of Pharmacology, University of Michigan Medical School, Ann Arbor, Michigan 48109, United States,"],"affiliations":[{"raw_affiliation_string":"Department\rof Pharmacology, University of Michigan Medical School, Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]},{"raw_affiliation_string":"Department of Pharmacology, University of Michigan Medical School, Ann Arbor, Michigan 48109, United States,","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052036712","display_name":"Kristin L. Rockwell","orcid":"https://orcid.org/0000-0002-4741-8928"},"institutions":[{"id":"https://openalex.org/I4210091812","display_name":"Bristol-Myers Squibb (United States)","ror":"https://ror.org/00gtmwv55","country_code":"US","type":"company","lineage":["https://openalex.org/I4210091812"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kristin Rockwell","raw_affiliation_strings":["Discovery, Bristol-Myers Squibb Company, Wallingford, Connecticut 06492, United States","Discovery, Bristol-Myers Squibb Company , Wallingford, Connecticut 06492, United States"],"affiliations":[{"raw_affiliation_string":"Discovery, Bristol-Myers Squibb Company, Wallingford, Connecticut 06492, United States","institution_ids":["https://openalex.org/I4210091812"]},{"raw_affiliation_string":"Discovery, Bristol-Myers Squibb Company , Wallingford, Connecticut 06492, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055357978","display_name":"Lauren Budenholzer","orcid":"https://orcid.org/0000-0003-2525-6478"},"institutions":[{"id":"https://openalex.org/I32971472","display_name":"Yale University","ror":"https://ror.org/03v76x132","country_code":"US","type":"education","lineage":["https://openalex.org/I32971472"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Lauren Budenholzer","raw_affiliation_strings":["Department\rof Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut 06520, United States","Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut 06520, United States"],"affiliations":[{"raw_affiliation_string":"Department\rof Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut 06520, United States","institution_ids":["https://openalex.org/I32971472"]},{"raw_affiliation_string":"Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut 06520, United States","institution_ids":["https://openalex.org/I32971472"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022375777","display_name":"John R. Traynor","orcid":"https://orcid.org/0000-0002-1849-8316"},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan\u2013Ann Arbor","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"John R. Traynor","raw_affiliation_strings":["Department\rof Pharmacology, University of Michigan Medical School, Ann Arbor, Michigan 48109, United States","Department of Pharmacology, University of Michigan Medical School, Ann Arbor, Michigan 48109, United States,"],"affiliations":[{"raw_affiliation_string":"Department\rof Pharmacology, University of Michigan Medical School, Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]},{"raw_affiliation_string":"Department of Pharmacology, University of Michigan Medical School, Ann Arbor, Michigan 48109, United States,","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055595723","display_name":"Samuel W. Gerritz","orcid":"https://orcid.org/0000-0002-8378-0393"},"institutions":[{"id":"https://openalex.org/I4210091812","display_name":"Bristol-Myers Squibb (United States)","ror":"https://ror.org/00gtmwv55","country_code":"US","type":"company","lineage":["https://openalex.org/I4210091812"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Samuel W. Gerritz","raw_affiliation_strings":["Discovery, Bristol-Myers Squibb Company, Wallingford, Connecticut 06492, United States","Discovery, Bristol-Myers Squibb Company , Wallingford, Connecticut 06492, United States"],"affiliations":[{"raw_affiliation_string":"Discovery, Bristol-Myers Squibb Company, Wallingford, Connecticut 06492, United States","institution_ids":["https://openalex.org/I4210091812"]},{"raw_affiliation_string":"Discovery, Bristol-Myers Squibb Company , Wallingford, Connecticut 06492, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017791212","display_name":"Andrew Alt","orcid":null},"institutions":[{"id":"https://openalex.org/I4210091812","display_name":"Bristol-Myers Squibb (United States)","ror":"https://ror.org/00gtmwv55","country_code":"US","type":"company","lineage":["https://openalex.org/I4210091812"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Andrew Alt","raw_affiliation_strings":["Discovery, Bristol-Myers Squibb Company, Wallingford, Connecticut 06492, United States","Discovery, Bristol-Myers Squibb Company , Wallingford, Connecticut 06492, United States"],"affiliations":[{"raw_affiliation_string":"Discovery, Bristol-Myers Squibb Company, Wallingford, Connecticut 06492, United States","institution_ids":["https://openalex.org/I4210091812"]},{"raw_affiliation_string":"Discovery, Bristol-Myers Squibb Company , Wallingford, Connecticut 06492, United States","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5000978218","display_name":"Marta Filizola","orcid":"https://orcid.org/0000-0002-4382-8276"},"institutions":[{"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":"Marta Filizola","raw_affiliation_strings":["Department\rof Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai, New York, New York 10029, United States","Department of Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai , New York, New York 10029, United States"],"affiliations":[{"raw_affiliation_string":"Department\rof Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai, New York, New York 10029, United States","institution_ids":["https://openalex.org/I98704320"]},{"raw_affiliation_string":"Department of Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai , New York, New York 10029, United States","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":12,"corresponding_author_ids":["https://openalex.org/A5054421536"],"corresponding_institution_ids":["https://openalex.org/I98704320"],"apc_list":null,"apc_paid":null,"fwci":2.2261,"has_fulltext":false,"cited_by_count":45,"citation_normalized_percentile":{"value":0.87649938,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":99},"biblio":{"volume":"55","issue":"9","first_page":"1836","last_page":"1843"},"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":0.9994999766349792,"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/T13047","display_name":"Pharmacological Receptor Mechanisms and Effects","score":0.9969000220298767,"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/allosteric-regulation","display_name":"Allosteric regulation","score":0.9501333236694336},{"id":"https://openalex.org/keywords/chinese-hamster-ovary-cell","display_name":"Chinese hamster ovary cell","score":0.7939251661300659},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.6025499701499939},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.5549893975257874},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5381195545196533},{"id":"https://openalex.org/keywords/opioid-receptor","display_name":"Opioid receptor","score":0.5330184102058411},{"id":"https://openalex.org/keywords/allosteric-modulator","display_name":"Allosteric modulator","score":0.5017349720001221},{"id":"https://openalex.org/keywords/opioid","display_name":"Opioid","score":0.4902847111225128},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.4501190781593323},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.35198792815208435},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.33943426609039307},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.29578864574432373},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2741357684135437}],"concepts":[{"id":"https://openalex.org/C166342909","wikidata":"https://www.wikidata.org/wiki/Q845326","display_name":"Allosteric regulation","level":3,"score":0.9501333236694336},{"id":"https://openalex.org/C175656101","wikidata":"https://www.wikidata.org/wiki/Q56646","display_name":"Chinese hamster ovary cell","level":3,"score":0.7939251661300659},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.6025499701499939},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.5549893975257874},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5381195545196533},{"id":"https://openalex.org/C2779886867","wikidata":"https://www.wikidata.org/wiki/Q421797","display_name":"Opioid receptor","level":4,"score":0.5330184102058411},{"id":"https://openalex.org/C2776038425","wikidata":"https://www.wikidata.org/wiki/Q2649417","display_name":"Allosteric modulator","level":4,"score":0.5017349720001221},{"id":"https://openalex.org/C2781063702","wikidata":"https://www.wikidata.org/wiki/Q427523","display_name":"Opioid","level":3,"score":0.4902847111225128},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4501190781593323},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.35198792815208435},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.33943426609039307},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.29578864574432373},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2741357684135437}],"mesh":[{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","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":"D003412","descriptor_name":"Cricetulus","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003412","descriptor_name":"Cricetulus","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003412","descriptor_name":"Cricetulus","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006224","descriptor_name":"Cricetinae","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006224","descriptor_name":"Cricetinae","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006224","descriptor_name":"Cricetinae","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":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":"Q000187","qualifier_name":"drug effects","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":"D013450","descriptor_name":"Sulfones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D013450","descriptor_name":"Sulfones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D013450","descriptor_name":"Sulfones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D013450","descriptor_name":"Sulfones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013450","descriptor_name":"Sulfones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013450","descriptor_name":"Sulfones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016466","descriptor_name":"CHO Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016466","descriptor_name":"CHO Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016466","descriptor_name":"CHO Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016503","descriptor_name":"Drug Delivery Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016503","descriptor_name":"Drug Delivery Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016503","descriptor_name":"Drug Delivery Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017450","descriptor_name":"Receptors, Opioid, mu","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017450","descriptor_name":"Receptors, Opioid, mu","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017450","descriptor_name":"Receptors, Opioid, mu","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017450","descriptor_name":"Receptors, Opioid, mu","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D017450","descriptor_name":"Receptors, Opioid, mu","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D017450","descriptor_name":"Receptors, Opioid, mu","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.5b00388","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00388","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:26347990","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26347990","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:europepmc.org:3679513","is_oa":false,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4703110","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"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":"Text"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G3976183873","display_name":null,"funder_award_id":"DA035316","funder_id":"https://openalex.org/F4320337347","funder_display_name":"National Institute on Drug Abuse"},{"id":"https://openalex.org/G6993142869","display_name":null,"funder_award_id":"DA026434","funder_id":"https://openalex.org/F4320337347","funder_display_name":"National Institute on Drug Abuse"},{"id":"https://openalex.org/G8083359897","display_name":null,"funder_award_id":"DA034049","funder_id":"https://openalex.org/F4320337347","funder_display_name":"National Institute on Drug Abuse"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337347","display_name":"National Institute on Drug Abuse","ror":"https://ror.org/00fq5cm18"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":18,"referenced_works":["https://openalex.org/W1495513371","https://openalex.org/W1918796765","https://openalex.org/W1922816396","https://openalex.org/W2009664257","https://openalex.org/W2024187762","https://openalex.org/W2027482274","https://openalex.org/W2068950095","https://openalex.org/W2083725367","https://openalex.org/W2086618906","https://openalex.org/W2097912054","https://openalex.org/W2098109575","https://openalex.org/W2107153432","https://openalex.org/W2118428474","https://openalex.org/W2126041445","https://openalex.org/W2143783928","https://openalex.org/W2162337394","https://openalex.org/W2324496045","https://openalex.org/W2403724604"],"related_works":["https://openalex.org/W2744779241","https://openalex.org/W2972923340","https://openalex.org/W4241434933","https://openalex.org/W2904434982","https://openalex.org/W2413283532","https://openalex.org/W2954309427","https://openalex.org/W3032032492","https://openalex.org/W2100024810","https://openalex.org/W1581940992","https://openalex.org/W1584162107"],"abstract_inverted_index":{"With":[0],"the":[1,19,23,27,50,82,126],"hope":[2],"of":[3,18,30,40,103,128],"discovering":[4],"effective":[5],"analgesics":[6],"with":[7,58],"fewer":[8],"side":[9],"effects,":[10],"attention":[11],"has":[12],"recently":[13],"shifted":[14],"to":[15,74,116,124],"allosteric":[16,34],"modulators":[17,35],"opioid":[20],"receptors.":[21],"In":[22],"past":[24],"two":[25],"years,":[26],"first":[28],"chemotypes":[29],"positive":[31],"or":[32,37,77],"silent":[33],"(PAMs":[36],"SAMs,":[38],"respectively)":[39],"\u03bc-":[41],"and":[42,61,112,123],"\u03b4-opioid":[43],"receptor":[44],"types":[45],"have":[46],"been":[47],"reported":[48],"in":[49,92,109],"literature.":[51],"During":[52],"a":[53,68],"structure-guided":[54],"lead":[55],"optimization":[56],"campaign":[57],"\u03bc-PAMs":[59],"BMS-986121":[60],"BMS-986122":[62],"as":[63,85],"starting":[64],"compounds,":[65],"we":[66],"discovered":[67],"new":[69],"chemotype":[70],"that":[71],"was":[72,106],"confirmed":[73],"display":[75],"\u03bc-PAM":[76,102],"\u03bc-SAM":[78],"activity":[79],"depending":[80],"on":[81,120],"specific":[83],"substitutions":[84],"assessed":[86],"by":[87],"endomorphin-1-stimulated":[88],"\u03b2-arrestin2":[89],"recruitment":[90],"assays":[91,115],"Chinese":[93],"Hamster":[94],"Ovary":[95],"(CHO)-\u03bc":[96],"PathHunter":[97],"cells.":[98],"The":[99],"most":[100],"active":[101],"this":[104],"series":[105],"analyzed":[107],"further":[108],"competition":[110],"binding":[111,122],"G-protein":[113],"activation":[114],"understand":[117],"its":[118,129],"effects":[119],"ligand":[121],"investigate":[125],"nature":[127],"probe":[130],"dependence.":[131]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":5},{"year":2021,"cited_by_count":6},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":5},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":6},{"year":2016,"cited_by_count":6}],"updated_date":"2026-03-14T08:43:22.919905","created_date":"2025-10-10T00:00:00"}
