{"id":"https://openalex.org/W4387691908","doi":"https://doi.org/10.1021/acs.jcim.3c00755","title":"Structure-Based Discovery of Mouse Trace Amine-Associated Receptor 5 Antagonists","display_name":"Structure-Based Discovery of Mouse Trace Amine-Associated Receptor 5 Antagonists","publication_year":2023,"publication_date":"2023-10-17","ids":{"openalex":"https://openalex.org/W4387691908","doi":"https://doi.org/10.1021/acs.jcim.3c00755","pmid":"https://pubmed.ncbi.nlm.nih.gov/37847527"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c00755","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00755","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00755","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","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","datacite","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00755","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5009528606","display_name":"Alessandro Nicoli","orcid":"https://orcid.org/0000-0001-6177-9749"},"institutions":[{"id":"https://openalex.org/I4210144923","display_name":"Leibniz-Institute for Food Systems Biology at the Technical University of Munich","ror":"https://ror.org/04sy7nb49","country_code":"DE","type":"facility","lineage":["https://openalex.org/I315704651","https://openalex.org/I4210144923"]},{"id":"https://openalex.org/I62916508","display_name":"Technical University of Munich","ror":"https://ror.org/02kkvpp62","country_code":"DE","type":"education","lineage":["https://openalex.org/I62916508"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Alessandro Nicoli","raw_affiliation_strings":["Chemoinformatics and Protein Modelling, Department of Molecular Life Sciences, School of Life Sciences, Technical University of Munich, 85354 Freising, Germany","Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354 Freising, Germany"],"raw_orcid":"https://orcid.org/0000-0001-6177-9749","affiliations":[{"raw_affiliation_string":"Chemoinformatics and Protein Modelling, Department of Molecular Life Sciences, School of Life Sciences, Technical University of Munich, 85354 Freising, Germany","institution_ids":["https://openalex.org/I62916508"]},{"raw_affiliation_string":"Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354 Freising, Germany","institution_ids":["https://openalex.org/I4210144923"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5104152372","display_name":"Verena Weber","orcid":"https://orcid.org/0009-0005-5172-9461"},"institutions":[{"id":"https://openalex.org/I171892758","display_name":"Forschungszentrum J\u00fclich","ror":"https://ror.org/02nv7yv05","country_code":"DE","type":"facility","lineage":["https://openalex.org/I1305996414","https://openalex.org/I171892758"]},{"id":"https://openalex.org/I4210144923","display_name":"Leibniz-Institute for Food Systems Biology at the Technical University of Munich","ror":"https://ror.org/04sy7nb49","country_code":"DE","type":"facility","lineage":["https://openalex.org/I315704651","https://openalex.org/I4210144923"]},{"id":"https://openalex.org/I887968799","display_name":"RWTH Aachen University","ror":"https://ror.org/04xfq0f34","country_code":"DE","type":"education","lineage":["https://openalex.org/I887968799"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Verena Weber","raw_affiliation_strings":["Faculty of Mathematics, Computer Science and Natural Sciences, RWTH Aachen, Aachen, 52062 Germany","Institute for Advanced Simulations (IAS)-5/Institute for Neuroscience and Medicine (INM)-9, Forschungszentrum J\u00fclich, 52428 J\u00fclich, Germany","Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354 Freising, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Mathematics, Computer Science and Natural Sciences, RWTH Aachen, Aachen, 52062 Germany","institution_ids":["https://openalex.org/I887968799"]},{"raw_affiliation_string":"Institute for Advanced Simulations (IAS)-5/Institute for Neuroscience and Medicine (INM)-9, Forschungszentrum J\u00fclich, 52428 J\u00fclich, Germany","institution_ids":["https://openalex.org/I171892758"]},{"raw_affiliation_string":"Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354 Freising, Germany","institution_ids":["https://openalex.org/I4210144923"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033786723","display_name":"Carlotta Bon","orcid":"https://orcid.org/0000-0002-7443-4659"},"institutions":[{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Carlotta Bon","raw_affiliation_strings":["Istituto Italiano di Tecnologia, 16163 Genova, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Istituto Italiano di Tecnologia, 16163 Genova, Italy","institution_ids":["https://openalex.org/I30771326"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057395528","display_name":"Alexandra Steuer","orcid":"https://orcid.org/0000-0001-5317-5662"},"institutions":[{"id":"https://openalex.org/I4210144923","display_name":"Leibniz-Institute for Food Systems Biology at the Technical University of Munich","ror":"https://ror.org/04sy7nb49","country_code":"DE","type":"facility","lineage":["https://openalex.org/I315704651","https://openalex.org/I4210144923"]},{"id":"https://openalex.org/I62916508","display_name":"Technical University of Munich","ror":"https://ror.org/02kkvpp62","country_code":"DE","type":"education","lineage":["https://openalex.org/I62916508"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Alexandra Steuer","raw_affiliation_strings":["Chemoinformatics and Protein Modelling, Department of Molecular Life Sciences, School of Life Sciences, Technical University of Munich, 85354 Freising, Germany","Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354 Freising, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemoinformatics and Protein Modelling, Department of Molecular Life Sciences, School of Life Sciences, Technical University of Munich, 85354 Freising, Germany","institution_ids":["https://openalex.org/I62916508"]},{"raw_affiliation_string":"Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354 Freising, Germany","institution_ids":["https://openalex.org/I4210144923"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010889569","display_name":"Stefano Gustincich","orcid":"https://orcid.org/0000-0002-2749-2514"},"institutions":[{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Stefano Gustincich","raw_affiliation_strings":["Istituto Italiano di Tecnologia, 16163 Genova, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Istituto Italiano di Tecnologia, 16163 Genova, Italy","institution_ids":["https://openalex.org/I30771326"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015876222","display_name":"Raul R. Gainetdinov","orcid":"https://orcid.org/0000-0003-2951-6038"},"institutions":[{"id":"https://openalex.org/I172901346","display_name":"St Petersburg University","ror":"https://ror.org/023znxa73","country_code":"RU","type":"education","lineage":["https://openalex.org/I172901346"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Raul R. Gainetdinov","raw_affiliation_strings":["Institute of Translational Biomedicine and Saint Petersburg University Hospital, Saint Petersburg State University, Saint Petersburg 199034, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Translational Biomedicine and Saint Petersburg University Hospital, Saint Petersburg State University, Saint Petersburg 199034, Russia","institution_ids":["https://openalex.org/I172901346"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047313506","display_name":"Roman Lang","orcid":"https://orcid.org/0000-0003-0610-7186"},"institutions":[{"id":"https://openalex.org/I4210144923","display_name":"Leibniz-Institute for Food Systems Biology at the Technical University of Munich","ror":"https://ror.org/04sy7nb49","country_code":"DE","type":"facility","lineage":["https://openalex.org/I315704651","https://openalex.org/I4210144923"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Roman Lang","raw_affiliation_strings":["Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354 Freising, Germany"],"raw_orcid":"https://orcid.org/0000-0003-0610-7186","affiliations":[{"raw_affiliation_string":"Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354 Freising, Germany","institution_ids":["https://openalex.org/I4210144923"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040789245","display_name":"Stefano Espinoza","orcid":"https://orcid.org/0000-0002-3048-4822"},"institutions":[{"id":"https://openalex.org/I123338534","display_name":"Universit\u00e0 degli Studi del Piemonte Orientale \u201cAmedeo Avogadro\u201d","ror":"https://ror.org/04387x656","country_code":"IT","type":"education","lineage":["https://openalex.org/I123338534"]},{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Stefano Espinoza","raw_affiliation_strings":["Dipartimento di Scienze della Salute, Universit\u00e0 del Piemonte Orientale, 28100 Novara, Italy","Istituto Italiano di Tecnologia, 16163 Genova, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze della Salute, Universit\u00e0 del Piemonte Orientale, 28100 Novara, Italy","institution_ids":["https://openalex.org/I123338534"]},{"raw_affiliation_string":"Istituto Italiano di Tecnologia, 16163 Genova, Italy","institution_ids":["https://openalex.org/I30771326"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5080989278","display_name":"Antonella Di Pizio","orcid":"https://orcid.org/0000-0002-8520-5165"},"institutions":[{"id":"https://openalex.org/I4210144923","display_name":"Leibniz-Institute for Food Systems Biology at the Technical University of Munich","ror":"https://ror.org/04sy7nb49","country_code":"DE","type":"facility","lineage":["https://openalex.org/I315704651","https://openalex.org/I4210144923"]},{"id":"https://openalex.org/I62916508","display_name":"Technical University of Munich","ror":"https://ror.org/02kkvpp62","country_code":"DE","type":"education","lineage":["https://openalex.org/I62916508"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Antonella Di Pizio","raw_affiliation_strings":["Chemoinformatics and Protein Modelling, Department of Molecular Life Sciences, School of Life Sciences, Technical University of Munich, 85354 Freising, Germany","Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354 Freising, Germany"],"raw_orcid":"https://orcid.org/0000-0002-8520-5165","affiliations":[{"raw_affiliation_string":"Chemoinformatics and Protein Modelling, Department of Molecular Life Sciences, School of Life Sciences, Technical University of Munich, 85354 Freising, Germany","institution_ids":["https://openalex.org/I62916508"]},{"raw_affiliation_string":"Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354 Freising, Germany","institution_ids":["https://openalex.org/I4210144923"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5040789245","https://openalex.org/A5080989278"],"corresponding_institution_ids":["https://openalex.org/I123338534","https://openalex.org/I30771326","https://openalex.org/I4210144923","https://openalex.org/I62916508"],"apc_list":null,"apc_paid":null,"fwci":0.8511,"has_fulltext":true,"cited_by_count":6,"citation_normalized_percentile":{"value":0.74771175,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":97},"biblio":{"volume":"63","issue":"21","first_page":"6667","last_page":"6680"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9991000294685364,"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":0.9991000294685364,"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/T10971","display_name":"Olfactory and Sensory Function Studies","score":0.9986000061035156,"subfield":{"id":"https://openalex.org/subfields/2809","display_name":"Sensory Systems"},"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/T11584","display_name":"Biochemical Analysis and Sensing Techniques","score":0.9927999973297119,"subfield":{"id":"https://openalex.org/subfields/2916","display_name":"Nutrition and Dietetics"},"field":{"id":"https://openalex.org/fields/29","display_name":"Nursing"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/g-protein-coupled-receptor","display_name":"G protein-coupled receptor","score":0.7462043762207031},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.7155843377113342},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.6541416645050049},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.5691365003585815},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5627883672714233},{"id":"https://openalex.org/keywords/homology-modeling","display_name":"Homology modeling","score":0.5279083847999573},{"id":"https://openalex.org/keywords/neuroscience","display_name":"Neuroscience","score":0.4007454812526703},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.38907313346862793},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.3427502512931824},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.32676953077316284},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.24160927534103394}],"concepts":[{"id":"https://openalex.org/C135285700","wikidata":"https://www.wikidata.org/wiki/Q38173","display_name":"G protein-coupled receptor","level":3,"score":0.7462043762207031},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.7155843377113342},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6541416645050049},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.5691365003585815},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5627883672714233},{"id":"https://openalex.org/C169627665","wikidata":"https://www.wikidata.org/wiki/Q5767913","display_name":"Homology modeling","level":3,"score":0.5279083847999573},{"id":"https://openalex.org/C169760540","wikidata":"https://www.wikidata.org/wiki/Q207011","display_name":"Neuroscience","level":1,"score":0.4007454812526703},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.38907313346862793},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3427502512931824},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.32676953077316284},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.24160927534103394},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000588","descriptor_name":"Amines","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000588","descriptor_name":"Amines","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000588","descriptor_name":"Amines","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":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","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":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051379","descriptor_name":"Mice","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051379","descriptor_name":"Mice","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051379","descriptor_name":"Mice","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/acs.jcim.3c00755","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00755","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00755","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:37847527","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37847527","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:pubmedcentral.nih.gov:10647090","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10647090","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10647090/pdf/ci3c00755.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"},{"id":"doi:10.18154/rwth-2024-01461","is_oa":true,"landing_page_url":"https://doi.org/10.18154/rwth-2024-01461","pdf_url":null,"source":{"id":"https://openalex.org/S4306401033","display_name":"RWTH Publications (RWTH Aachen)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I887968799","host_organization_name":"RWTH Aachen University","host_organization_lineage":["https://openalex.org/I887968799"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.3c00755","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00755","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00755","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.7900000214576721}],"awards":[{"id":"https://openalex.org/G2411766924","display_name":null,"funder_award_id":"19-75-30008","funder_id":"https://openalex.org/F4320324099","funder_display_name":"Russian Science Foundation"},{"id":"https://openalex.org/G2801830077","display_name":null,"funder_award_id":"P116/2020","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"},{"id":"https://openalex.org/G4192730523","display_name":null,"funder_award_id":"P116/2020","funder_id":"https://openalex.org/F4320334763","funder_display_name":"Leibniz-Gemeinschaft"},{"id":"https://openalex.org/G5318536780","display_name":null,"funder_award_id":"CA18133","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"},{"id":"https://openalex.org/G560262387","display_name":null,"funder_award_id":"PI 1672/3-1","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"},{"id":"https://openalex.org/G8925532956","display_name":null,"funder_award_id":"19-75-30008-P","funder_id":"https://openalex.org/F4320324099","funder_display_name":"Russian Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320320879","display_name":"Deutsche Forschungsgemeinschaft","ror":"https://ror.org/018mejw64"},{"id":"https://openalex.org/F4320324099","display_name":"Russian Science Foundation","ror":"https://ror.org/03y2gwe85"},{"id":"https://openalex.org/F4320334763","display_name":"Leibniz-Gemeinschaft","ror":"https://ror.org/01n6r0e97"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4387691908.pdf","grobid_xml":"https://content.openalex.org/works/W4387691908.grobid-xml"},"referenced_works_count":104,"referenced_works":["https://openalex.org/W1607931568","https://openalex.org/W1964225232","https://openalex.org/W1966556364","https://openalex.org/W1968511474","https://openalex.org/W1972888570","https://openalex.org/W1974880836","https://openalex.org/W1979900513","https://openalex.org/W1980374511","https://openalex.org/W1981305916","https://openalex.org/W1982842980","https://openalex.org/W1985588649","https://openalex.org/W1990724722","https://openalex.org/W1991483463","https://openalex.org/W1994941561","https://openalex.org/W1995343510","https://openalex.org/W1999491936","https://openalex.org/W1999620096","https://openalex.org/W2006801788","https://openalex.org/W2011301426","https://openalex.org/W2021580832","https://openalex.org/W2023251219","https://openalex.org/W2026180033","https://openalex.org/W2026707044","https://openalex.org/W2029088347","https://openalex.org/W2035687084","https://openalex.org/W2038532826","https://openalex.org/W2062165317","https://openalex.org/W2062791132","https://openalex.org/W2065342329","https://openalex.org/W2070624290","https://openalex.org/W2070907334","https://openalex.org/W2079953901","https://openalex.org/W2082586732","https://openalex.org/W2085381168","https://openalex.org/W2086729168","https://openalex.org/W2095119416","https://openalex.org/W2097775366","https://openalex.org/W2100561975","https://openalex.org/W2102377211","https://openalex.org/W2109154308","https://openalex.org/W2119109208","https://openalex.org/W2119692371","https://openalex.org/W2120299904","https://openalex.org/W2131451336","https://openalex.org/W2143482176","https://openalex.org/W2159760589","https://openalex.org/W2170711116","https://openalex.org/W2170816999","https://openalex.org/W2193778408","https://openalex.org/W2197986200","https://openalex.org/W2207538520","https://openalex.org/W2253221874","https://openalex.org/W2296686360","https://openalex.org/W2340832181","https://openalex.org/W2400094991","https://openalex.org/W2416329088","https://openalex.org/W2426561352","https://openalex.org/W2510475640","https://openalex.org/W2555870966","https://openalex.org/W2802592696","https://openalex.org/W2805849877","https://openalex.org/W2860035592","https://openalex.org/W2896439054","https://openalex.org/W2917691165","https://openalex.org/W2923978339","https://openalex.org/W2952828268","https://openalex.org/W2957239902","https://openalex.org/W2980538488","https://openalex.org/W2981963275","https://openalex.org/W2988818771","https://openalex.org/W2996239362","https://openalex.org/W2996405687","https://openalex.org/W3010599274","https://openalex.org/W3030632407","https://openalex.org/W3042198040","https://openalex.org/W3046840768","https://openalex.org/W3083406432","https://openalex.org/W3086773311","https://openalex.org/W3094050881","https://openalex.org/W3097936550","https://openalex.org/W3110608978","https://openalex.org/W3114321016","https://openalex.org/W3136612688","https://openalex.org/W3137816310","https://openalex.org/W3144971905","https://openalex.org/W3147531120","https://openalex.org/W3162534692","https://openalex.org/W3201539868","https://openalex.org/W3204847446","https://openalex.org/W4200127861","https://openalex.org/W4200317736","https://openalex.org/W4205235246","https://openalex.org/W4206617797","https://openalex.org/W4207050306","https://openalex.org/W4210314446","https://openalex.org/W4211196614","https://openalex.org/W4211220066","https://openalex.org/W4220719215","https://openalex.org/W4220744415","https://openalex.org/W4283016060","https://openalex.org/W4293772107","https://openalex.org/W4311720161","https://openalex.org/W4318023216","https://openalex.org/W4377989989"],"related_works":["https://openalex.org/W1135792216","https://openalex.org/W2059230675","https://openalex.org/W2376003823","https://openalex.org/W2594726310","https://openalex.org/W2145925696","https://openalex.org/W2355193834","https://openalex.org/W2907597838","https://openalex.org/W2170665326","https://openalex.org/W2167086539","https://openalex.org/W2793902488"],"abstract_inverted_index":{"Trace":[0],"amine-associated":[1],"receptors":[2,16,55,166],"(TAARs)":[3],"were":[4,33],"discovered":[5,63],"in":[6,37,105],"2001":[7],"as":[8,29,185],"new":[9,136,179,192],"members":[10,25],"of":[11,22,48,74,82,120,143,164,191],"class":[12],"A":[13],"G":[14],"protein-coupled":[15],"(GPCRs).":[17],"With":[18],"the":[19,38,45,72,80,101,106,118,153,189],"only":[20],"exception":[21],"TAAR1,":[23],"TAAR":[24],"(TAAR2-9,":[26],"also":[27],"known":[28],"noncanonical":[30,53],"olfactory":[31,39,54],"receptors)":[32],"originally":[34],"described":[35],"exclusively":[36],"epithelium":[40],"and":[41,66,161,170,197],"believed":[42],"to":[43,79,112,133],"mediate":[44],"innate":[46],"perception":[47],"volatile":[49],"amines.":[50],"However,":[51],"most":[52],"are":[56],"still":[57],"orphan":[58],"receptors.":[59],"Given":[60],"its":[61],"recently":[62],"nonolfactory":[64],"expression":[65],"therapeutic":[67],"potential,":[68],"TAAR5":[69,92,121,137,154,180],"has":[70],"been":[71],"focus":[73],"deorphanization":[75],"campaigns":[76],"that":[77,130,182],"led":[78],"discovery":[81],"a":[83,114,125,140],"few":[84],"druglike":[85],"antagonists.":[86],"Here,":[87],"we":[88,150,175],"report":[89],"four":[90,102],"novel":[91],"antagonists":[93,138,181],"identified":[94,177],"through":[95],"high-throughput":[96],"screening,":[97],"which,":[98],"along":[99],"with":[100,139,167],"ligands":[103],"published":[104],"literature,":[107],"constituted":[108],"our":[109],"starting":[110],"point":[111],"design":[113],"computational":[115],"strategy":[116],"for":[117,188,194],"identification":[119],"ligands.":[122],"We":[123],"developed":[124],"structure-based":[126,162],"virtual":[127],"screening":[128],"protocol":[129],"allowed":[131],"us":[132],"identify":[134],"three":[135],"hit":[141],"rate":[142],"10%.":[144],"Despite":[145],"lacking":[146],"an":[147],"experimental":[148],"structure,":[149],"accurately":[151],"modeled":[152],"binding":[155],"site":[156],"by":[157],"integrating":[158],"comparative":[159],"sequence-":[160],"analyses":[163],"serotonin":[165],"homology":[168],"modeling":[169],"side-chain":[171],"optimization.":[172],"In":[173],"summary,":[174],"have":[176],"seven":[178],"could":[183],"serve":[184],"lead":[186],"candidates":[187],"development":[190],"treatments":[193],"depression,":[195],"anxiety,":[196],"neurodegenerative":[198],"diseases.":[199]},"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":3}],"updated_date":"2026-06-15T08:34:33.830935","created_date":"2023-10-18T00:00:00"}