{"id":"https://openalex.org/W3135691966","doi":"https://doi.org/10.1186/s13321-021-00492-5","title":"Structure\u2010based identification of dual ligands at the A2AR and PDE10A with anti\u2010proliferative effects in lung cancer cell\u2010lines","display_name":"Structure\u2010based identification of dual ligands at the A2AR and PDE10A with anti\u2010proliferative effects in lung cancer cell\u2010lines","publication_year":2021,"publication_date":"2021-03-03","ids":{"openalex":"https://openalex.org/W3135691966","doi":"https://doi.org/10.1186/s13321-021-00492-5","mag":"3135691966","pmid":"https://pubmed.ncbi.nlm.nih.gov/33658076"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-021-00492-5","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-021-00492-5","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-021-00492-5","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"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 Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","datacite","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-021-00492-5","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5057661647","display_name":"Leen Kalash","orcid":"https://orcid.org/0000-0002-1751-6658"},"institutions":[{"id":"https://openalex.org/I188950975","display_name":"GlaxoSmithKline (United Kingdom)","ror":"https://ror.org/01xsqw823","country_code":"GB","type":"company","lineage":["https://openalex.org/I188950975"]},{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]},{"id":"https://openalex.org/I4210121703","display_name":"GlaxoSmithKline (Ireland)","ror":"https://ror.org/02m3x8945","country_code":"IE","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210121703"]}],"countries":["GB","IE"],"is_corresponding":false,"raw_author_name":"Leen Kalash","raw_affiliation_strings":["Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB21EW, Cambridge, UK","GlaxoSmithKline, Gunnels Wood Road, Hertfordshire, SG1 2NY, Stevenage, UK"],"raw_orcid":"https://orcid.org/0000-0002-1751-6658","affiliations":[{"raw_affiliation_string":"Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB21EW, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"GlaxoSmithKline, Gunnels Wood Road, Hertfordshire, SG1 2NY, Stevenage, UK","institution_ids":["https://openalex.org/I188950975","https://openalex.org/I4210121703"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071304314","display_name":"Ian J. Winfield","orcid":"https://orcid.org/0000-0001-9296-5114"},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Ian Winfield","raw_affiliation_strings":["Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB21EW, Cambridge, UK","Department of Pharmacology, University of Cambridge, Tennis Court Road, CB2 1PD, Cambridge, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB21EW, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Department of Pharmacology, University of Cambridge, Tennis Court Road, CB2 1PD, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059033623","display_name":"Dewi Safitri","orcid":"https://orcid.org/0000-0003-2260-3892"},"institutions":[{"id":"https://openalex.org/I134635517","display_name":"Bandung Institute of Technology","ror":"https://ror.org/00apj8t60","country_code":"ID","type":"education","lineage":["https://openalex.org/I134635517"]},{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB","ID"],"is_corresponding":false,"raw_author_name":"Dewi Safitri","raw_affiliation_strings":["Department of Pharmacology, University of Cambridge, Tennis Court Road, CB2 1PD, Cambridge, UK","Pharmacology and Clinical Pharmacy Research Group, School of Pharmacy, Bandung Institute of Technology, 40132, Bandung, Indonesia"],"raw_orcid":"https://orcid.org/0000-0003-2260-3892","affiliations":[{"raw_affiliation_string":"Department of Pharmacology, University of Cambridge, Tennis Court Road, CB2 1PD, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Pharmacology and Clinical Pharmacy Research Group, School of Pharmacy, Bandung Institute of Technology, 40132, Bandung, Indonesia","institution_ids":["https://openalex.org/I134635517"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013807967","display_name":"Marcel Berm\u00fadez","orcid":"https://orcid.org/0000-0002-7421-3282"},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]},{"id":"https://openalex.org/I75951250","display_name":"Freie Universit\u00e4t Berlin","ror":"https://ror.org/046ak2485","country_code":"DE","type":"education","lineage":["https://openalex.org/I75951250"]}],"countries":["DE","GB"],"is_corresponding":false,"raw_author_name":"Marcel Bermudez","raw_affiliation_strings":["Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB21EW, Cambridge, UK","Institute of Pharmacy, Freie Universit\u00e4t Berlin, K\u00f6nigin-Luise-Stra\u00dfe 2 und 4, 14195, Berlin, Germany"],"raw_orcid":"https://orcid.org/0000-0002-7421-3282","affiliations":[{"raw_affiliation_string":"Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB21EW, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Institute of Pharmacy, Freie Universit\u00e4t Berlin, K\u00f6nigin-Luise-Stra\u00dfe 2 und 4, 14195, Berlin, Germany","institution_ids":["https://openalex.org/I75951250"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062696225","display_name":"Sabrina do Espirito Santo Carvalho","orcid":null},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Sabrina Carvalho","raw_affiliation_strings":["Department of Pharmacology, University of Cambridge, Tennis Court Road, CB2 1PD, Cambridge, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, University of Cambridge, Tennis Court Road, CB2 1PD, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014283781","display_name":"Robert C. Glen","orcid":"https://orcid.org/0000-0003-1759-2914"},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]},{"id":"https://openalex.org/I47508984","display_name":"Imperial College London","ror":"https://ror.org/041kmwe10","country_code":"GB","type":"education","lineage":["https://openalex.org/I47508984"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Robert Glen","raw_affiliation_strings":["Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB21EW, Cambridge, UK","Department of Metabolism Digestion and Reproduction, Faculty of Medicine, Imperial College London, SW7 2AZ, London, UK"],"raw_orcid":"https://orcid.org/0000-0003-1759-2914","affiliations":[{"raw_affiliation_string":"Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB21EW, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Department of Metabolism Digestion and Reproduction, Faculty of Medicine, Imperial College London, SW7 2AZ, London, UK","institution_ids":["https://openalex.org/I47508984"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076475814","display_name":"Graham Ladds","orcid":"https://orcid.org/0000-0001-7320-9612"},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Graham Ladds","raw_affiliation_strings":["Department of Pharmacology, University of Cambridge, Tennis Court Road, CB2 1PD, Cambridge, UK. grl30@cam.ac.uk","Department of Pharmacology, University of Cambridge, Tennis Court Road, CB2 1PD, Cambridge, UK"],"raw_orcid":"https://orcid.org/0000-0001-7320-9612","affiliations":[{"raw_affiliation_string":"Department of Pharmacology, University of Cambridge, Tennis Court Road, CB2 1PD, Cambridge, UK. grl30@cam.ac.uk","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Department of Pharmacology, University of Cambridge, Tennis Court Road, CB2 1PD, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5026643759","display_name":"Andreas Bender","orcid":"https://orcid.org/0000-0002-6683-7546"},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Andreas Bender","raw_affiliation_strings":["Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB21EW, Cambridge, UK. ab454@cam.ac.uk","Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB21EW, Cambridge, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB21EW, Cambridge, UK. ab454@cam.ac.uk","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB21EW, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5026643759","https://openalex.org/A5076475814"],"corresponding_institution_ids":["https://openalex.org/I241749"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.3257,"has_fulltext":true,"cited_by_count":9,"citation_normalized_percentile":{"value":0.55136607,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"13","issue":"1","first_page":"17","last_page":"17"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12434","display_name":"Phosphodiesterase function and regulation","score":0.9998999834060669,"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/T12434","display_name":"Phosphodiesterase function and regulation","score":0.9998999834060669,"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9994999766349792,"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/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9984999895095825,"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/in-vitro","display_name":"In vitro","score":0.5956329107284546},{"id":"https://openalex.org/keywords/lung-cancer","display_name":"Lung cancer","score":0.5785312056541443},{"id":"https://openalex.org/keywords/phosphodiesterase","display_name":"Phosphodiesterase","score":0.5724235773086548},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.4876023828983307},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4643322229385376},{"id":"https://openalex.org/keywords/cancer-research","display_name":"Cancer research","score":0.45636293292045593},{"id":"https://openalex.org/keywords/cell-culture","display_name":"Cell culture","score":0.437746524810791},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.41292059421539307},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3798096179962158},{"id":"https://openalex.org/keywords/cell-biology","display_name":"Cell biology","score":0.32058072090148926},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.300479918718338},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.28723543882369995},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.23038464784622192},{"id":"https://openalex.org/keywords/internal-medicine","display_name":"Internal medicine","score":0.228937029838562},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.1474212408065796},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.07193028926849365}],"concepts":[{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.5956329107284546},{"id":"https://openalex.org/C2776256026","wikidata":"https://www.wikidata.org/wiki/Q47912","display_name":"Lung cancer","level":2,"score":0.5785312056541443},{"id":"https://openalex.org/C62826618","wikidata":"https://www.wikidata.org/wiki/Q424304","display_name":"Phosphodiesterase","level":3,"score":0.5724235773086548},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.4876023828983307},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4643322229385376},{"id":"https://openalex.org/C502942594","wikidata":"https://www.wikidata.org/wiki/Q3421914","display_name":"Cancer research","level":1,"score":0.45636293292045593},{"id":"https://openalex.org/C81885089","wikidata":"https://www.wikidata.org/wiki/Q189082","display_name":"Cell culture","level":2,"score":0.437746524810791},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.41292059421539307},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3798096179962158},{"id":"https://openalex.org/C95444343","wikidata":"https://www.wikidata.org/wiki/Q7141","display_name":"Cell biology","level":1,"score":0.32058072090148926},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.300479918718338},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.28723543882369995},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.23038464784622192},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.228937029838562},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.1474212408065796},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.07193028926849365}],"mesh":[],"locations_count":9,"locations":[{"id":"doi:10.1186/s13321-021-00492-5","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-021-00492-5","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-021-00492-5","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"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 Cheminformatics","raw_type":"journal-article"},{"id":"pmid:33658076","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33658076","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 cheminformatics","raw_type":null},{"id":"pmh:oai:refubium.fu-berlin.de:fub188/30623","is_oa":true,"landing_page_url":"https://refubium.fu-berlin.de/handle/fub188/30623","pdf_url":"https://refubium.fu-berlin.de/handle/fub188/30623","source":{"id":"https://openalex.org/S4306402444","display_name":"Refubium (Universit\u00e4tsbibliothek der Freien Universit\u00e4t Berlin)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I75951250","host_organization_name":"Freie Universit\u00e4t Berlin","host_organization_lineage":["https://openalex.org/I75951250"],"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":"","raw_type":"doc-type:article"},{"id":"pmh:oai:doaj.org/article:475f56f41ee54ebda841325ad9547893","is_oa":true,"landing_page_url":"https://doaj.org/article/475f56f41ee54ebda841325ad9547893","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-17 (2021)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:7927403","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/7927403","pdf_url":null,"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 Cheminform","raw_type":"Text"},{"id":"pmh:oai:spiral.imperial.ac.uk:10044/1/93855","is_oa":true,"landing_page_url":"http://hdl.handle.net/10044/1/93855","pdf_url":null,"source":{"id":"https://openalex.org/S4306401396","display_name":"Spiral (Imperial College London)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I47508984","host_organization_name":"Imperial College London","host_organization_lineage":["https://openalex.org/I47508984"],"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":"","raw_type":"Journal Article"},{"id":"pmh:oai:www.repository.cam.ac.uk:1810/321531","is_oa":true,"landing_page_url":"https://www.repository.cam.ac.uk/handle/1810/321531","pdf_url":null,"source":{"id":"https://openalex.org/S4306401777","display_name":"Apollo (University of Cambridge)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I241749","host_organization_name":"University of Cambridge","host_organization_lineage":["https://openalex.org/I241749"],"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":null,"raw_type":"Article"},{"id":"doi:10.17169/refubium-30362","is_oa":true,"landing_page_url":"https://doi.org/10.17169/refubium-30362","pdf_url":null,"source":{"id":"https://openalex.org/S7407052913","display_name":"Universit\u00e4tsbibliothek der FU Berlin Hochschulschriftenstelle u. Dokumentenserver","issn_l":null,"issn":[],"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article-journal"},{"id":"doi:10.17863/cam.68650","is_oa":true,"landing_page_url":"https://doi.org/10.17863/cam.68650","pdf_url":null,"source":{"id":"https://openalex.org/S7407050737","display_name":"Apollo","issn_l":null,"issn":[],"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"doi:10.1186/s13321-021-00492-5","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-021-00492-5","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-021-00492-5","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"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 Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.8199999928474426,"display_name":"Good health and well-being"}],"awards":[{"id":"https://openalex.org/G8703363528","display_name":null,"funder_award_id":"336159","funder_id":"https://openalex.org/F4320334678","funder_display_name":"European Research Council"}],"funders":[{"id":"https://openalex.org/F4320334678","display_name":"European Research Council","ror":"https://ror.org/0472cxd90"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3135691966.pdf","grobid_xml":"https://content.openalex.org/works/W3135691966.grobid-xml"},"referenced_works_count":59,"referenced_works":["https://openalex.org/W1858241001","https://openalex.org/W1933158260","https://openalex.org/W1967889357","https://openalex.org/W1968745182","https://openalex.org/W1969591740","https://openalex.org/W1969641018","https://openalex.org/W1976975058","https://openalex.org/W1977417864","https://openalex.org/W1980962873","https://openalex.org/W2003750251","https://openalex.org/W2009423060","https://openalex.org/W2023020566","https://openalex.org/W2027061080","https://openalex.org/W2027423337","https://openalex.org/W2031168104","https://openalex.org/W2034649274","https://openalex.org/W2038622549","https://openalex.org/W2044832362","https://openalex.org/W2052914592","https://openalex.org/W2059538452","https://openalex.org/W2075739824","https://openalex.org/W2077262614","https://openalex.org/W2095373531","https://openalex.org/W2102513649","https://openalex.org/W2116757514","https://openalex.org/W2121443918","https://openalex.org/W2123388283","https://openalex.org/W2129153475","https://openalex.org/W2140831051","https://openalex.org/W2153228625","https://openalex.org/W2165747500","https://openalex.org/W2167381827","https://openalex.org/W2178161815","https://openalex.org/W2234295074","https://openalex.org/W2280969907","https://openalex.org/W2395747323","https://openalex.org/W2398669046","https://openalex.org/W2417679656","https://openalex.org/W2561263099","https://openalex.org/W2586253560","https://openalex.org/W2594829311","https://openalex.org/W2602759026","https://openalex.org/W2615296077","https://openalex.org/W2622236128","https://openalex.org/W2745089845","https://openalex.org/W2746440664","https://openalex.org/W2775170184","https://openalex.org/W2779854606","https://openalex.org/W2804831779","https://openalex.org/W2910962561","https://openalex.org/W2945328740","https://openalex.org/W2949688987","https://openalex.org/W2958625601","https://openalex.org/W2978185019","https://openalex.org/W2985087194","https://openalex.org/W3001422834","https://openalex.org/W3107755701","https://openalex.org/W3149078497","https://openalex.org/W3150635270"],"related_works":["https://openalex.org/W2062331402","https://openalex.org/W2074907177","https://openalex.org/W1525853610","https://openalex.org/W2469340815","https://openalex.org/W2026922380","https://openalex.org/W2064573700","https://openalex.org/W2024752358","https://openalex.org/W1979966414","https://openalex.org/W1974105016","https://openalex.org/W2472463204"],"abstract_inverted_index":{"Abstract":[0],"Enhanced/prolonged":[1],"cAMP":[2],"signalling":[3],"has":[4,166],"been":[5,167],"suggested":[6],"as":[7,80],"a":[8,62,81,90,162,177],"suppressor":[9],"of":[10,37,85,92,104,135,151],"cancer":[11,40],"proliferation.":[12],"Interestingly,":[13],"two":[14],"key":[15],"modulators":[16],"that":[17,113],"elevate":[18],"cAMP,":[19],"the":[20,52,101,105,118,127,136,149,155],"A":[21,53,86,106,119,128,156],"2A":[22,25,54,87,107,120,129,157],"receptor":[23],"(A":[24],"R)":[26],"and":[27,68,122,131,154,172,175],"phosphodiesterase":[28],"10A":[29],"(PDE10A),":[30],"are":[31,48],"differentially":[32],"co-expressed":[33],"in":[34,169],"various":[35],"types":[36],"non-small":[38],"lung":[39],"(NSCLC)":[41],"cell-lines.":[42],"Thus,":[43,159],"finding":[44],"dual-target":[45],"compounds,":[46],"which":[47,145,165],"simultaneously":[49],"agonists":[50],"at":[51,125],"R":[55,88,121,130],"whilst":[56],"also":[57],"inhibiting":[58],"PDE10A,":[59],"could":[60],"be":[61],"novel":[63,82],"anti-proliferative":[64,140],"approach.":[65],"Using":[66],"ligand-":[67],"structure-based":[69,163],"modelling":[70],"combined":[71],"with":[72,148],"MD":[73],"simulations":[74],"(which":[75],"identified":[76],"Val":[77],"84":[78],"displacement":[79],"conformational":[83],"descriptor":[84],"activation),":[89],"series":[91],"known":[93],"PDE10A":[94,153],"inhibitors":[95],"were":[96],"shown":[97],"to":[98,100,117],"dock":[99],"orthosteric":[102],"site":[103],"R.":[108,158],"Subsequent":[109],"in-vitro":[110,170],"analysis":[111],"confirmed":[112],"these":[114],"compounds":[115,137],"bind":[116],"exhibit":[123],"dual-activity":[124],"both":[126,152],"PDE10A.":[132],"Furthermore,":[133],"many":[134],"exhibited":[138],"promising":[139,178],"effects":[141],"upon":[142],"NSCLC":[143],"cell-lines,":[144],"directly":[146],"correlated":[147],"expression":[150],"we":[160],"propose":[161],"methodology,":[164],"validated":[168],"binding":[171],"functional":[173],"assays,":[174],"demonstrated":[176],"therapeutic":[179],"value.":[180]},"counts_by_year":[{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1}],"updated_date":"2026-06-19T17:40:00.097472","created_date":"2021-03-15T00:00:00"}
