{"id":"https://openalex.org/W1983234577","doi":"https://doi.org/10.1007/s10822-012-9594-6","title":"Structure-based virtual screening of small-molecule antagonists of platelet integrin \u03b1IIb\u03b23 that do not prime the receptor to bind ligand","display_name":"Structure-based virtual screening of small-molecule antagonists of platelet integrin \u03b1IIb\u03b23 that do not prime the receptor to bind ligand","publication_year":2012,"publication_date":"2012-08-14","ids":{"openalex":"https://openalex.org/W1983234577","doi":"https://doi.org/10.1007/s10822-012-9594-6","mag":"1983234577","pmid":"https://pubmed.ncbi.nlm.nih.gov/22893377"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-012-9594-6","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-012-9594-6","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5040685256","display_name":"Ana Negri","orcid":"https://orcid.org/0000-0003-0726-7608"},"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":"Ana Negri","raw_affiliation_strings":["Department of Structural and Chemical Biology, Mount Sinai School of Medicine, 1425 Madison Avenue, Box 1677, New York, NY 10029-6574, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Structural and Chemical Biology, Mount Sinai School of Medicine, 1425 Madison Avenue, Box 1677, New York, NY 10029-6574, USA","institution_ids":["https://openalex.org/I98704320"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063383376","display_name":"Jihong Li","orcid":"https://orcid.org/0000-0002-5162-2737"},"institutions":[{"id":"https://openalex.org/I83399316","display_name":"Rockefeller University","ror":"https://ror.org/0420db125","country_code":"US","type":"education","lineage":["https://openalex.org/I83399316"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jihong Li","raw_affiliation_strings":["Laboratory of Blood and Vascular Biology, Rockefeller University, New York, NY, USA","Rockefeller University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Blood and Vascular Biology, Rockefeller University, New York, NY, USA","institution_ids":["https://openalex.org/I83399316"]},{"raw_affiliation_string":"Rockefeller University","institution_ids":["https://openalex.org/I83399316"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5043238447","display_name":"Sarasija Naini","orcid":null},"institutions":[{"id":"https://openalex.org/I83399316","display_name":"Rockefeller University","ror":"https://ror.org/0420db125","country_code":"US","type":"education","lineage":["https://openalex.org/I83399316"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sarasija Naini","raw_affiliation_strings":["Laboratory of Blood and Vascular Biology, Rockefeller University, New York, NY, USA","Rockefeller University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Blood and Vascular Biology, Rockefeller University, New York, NY, USA","institution_ids":["https://openalex.org/I83399316"]},{"raw_affiliation_string":"Rockefeller University","institution_ids":["https://openalex.org/I83399316"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039564788","display_name":"Barry S. Coller","orcid":"https://orcid.org/0000-0002-9078-7155"},"institutions":[{"id":"https://openalex.org/I83399316","display_name":"Rockefeller University","ror":"https://ror.org/0420db125","country_code":"US","type":"education","lineage":["https://openalex.org/I83399316"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Barry S. Coller","raw_affiliation_strings":["Laboratory of Blood and Vascular Biology, Rockefeller University, New York, NY, USA","Rockefeller University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Blood and Vascular Biology, Rockefeller University, New York, NY, USA","institution_ids":["https://openalex.org/I83399316"]},{"raw_affiliation_string":"Rockefeller University","institution_ids":["https://openalex.org/I83399316"]}]},{"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":true,"raw_author_name":"Marta Filizola","raw_affiliation_strings":["Department of Structural and Chemical Biology, Mount Sinai School of Medicine, 1425 Madison Avenue, Box 1677, New York, NY, 10029-6574, USA","Mount Sinai School of Medicine"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Structural and Chemical Biology, Mount Sinai School of Medicine, 1425 Madison Avenue, Box 1677, New York, NY, 10029-6574, USA","institution_ids":["https://openalex.org/I98704320"]},{"raw_affiliation_string":"Mount Sinai School of Medicine","institution_ids":["https://openalex.org/I98704320"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5000978218"],"corresponding_institution_ids":["https://openalex.org/I98704320"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":1.3934,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.80983134,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"26","issue":"9","first_page":"1005","last_page":"1015"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10746","display_name":"Platelet Disorders and Treatments","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2720","display_name":"Hematology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10746","display_name":"Platelet Disorders and Treatments","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2720","display_name":"Hematology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10831","display_name":"Cell Adhesion Molecules Research","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/2723","display_name":"Immunology and Allergy"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T11064","display_name":"Antiplatelet Therapy and Cardiovascular Diseases","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/2705","display_name":"Cardiology and Cardiovascular Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.7158883810043335},{"id":"https://openalex.org/keywords/integrin","display_name":"Integrin","score":0.6806280016899109},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6314014196395874},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.5717320442199707},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.4414314925670624},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.43809348344802856},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.4302251935005188},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.42897331714630127},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.3050509989261627},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.15746870636940002}],"concepts":[{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.7158883810043335},{"id":"https://openalex.org/C195687474","wikidata":"https://www.wikidata.org/wiki/Q409715","display_name":"Integrin","level":3,"score":0.6806280016899109},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6314014196395874},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.5717320442199707},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.4414314925670624},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.43809348344802856},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4302251935005188},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.42897331714630127},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3050509989261627},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.15746870636940002}],"mesh":[{"descriptor_ui":"D001792","descriptor_name":"Blood Platelets","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001792","descriptor_name":"Blood Platelets","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001792","descriptor_name":"Blood Platelets","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D003460","descriptor_name":"Crystallization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003460","descriptor_name":"Crystallization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003460","descriptor_name":"Crystallization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019039","descriptor_name":"Platelet Glycoprotein GPIIb-IIIa Complex","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D019039","descriptor_name":"Platelet Glycoprotein GPIIb-IIIa Complex","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D019039","descriptor_name":"Platelet Glycoprotein GPIIb-IIIa Complex","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D019039","descriptor_name":"Platelet Glycoprotein GPIIb-IIIa Complex","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D019039","descriptor_name":"Platelet Glycoprotein GPIIb-IIIa Complex","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D019039","descriptor_name":"Platelet Glycoprotein GPIIb-IIIa Complex","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1007/s10822-012-9594-6","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-012-9594-6","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:22893377","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22893377","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of computer-aided molecular design","raw_type":null},{"id":"pmh:oai:europepmc.org:2752064","is_oa":false,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3496400","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":[{"id":"https://metadata.un.org/sdg/3","score":0.4099999964237213,"display_name":"Good health and well-being"}],"awards":[{"id":"https://openalex.org/G2069560155","display_name":null,"funder_award_id":"2UL1RR024143","funder_id":"https://openalex.org/F4320337375","funder_display_name":"National Center for Research Resources"},{"id":"https://openalex.org/G52789301","display_name":null,"funder_award_id":"UL1 RR024143","funder_id":"https://openalex.org/F4320337375","funder_display_name":"National Center for Research Resources"},{"id":"https://openalex.org/G5484433836","display_name":null,"funder_award_id":"HL019278","funder_id":"https://openalex.org/F4320337338","funder_display_name":"National Heart, Lung, and Blood Institute"},{"id":"https://openalex.org/G7765851402","display_name":null,"funder_award_id":"R01 HL019278","funder_id":"https://openalex.org/F4320337338","funder_display_name":"National Heart, Lung, and Blood Institute"}],"funders":[{"id":"https://openalex.org/F4320331904","display_name":"Stony Brook University","ror":"https://ror.org/05qghxh33"},{"id":"https://openalex.org/F4320337338","display_name":"National Heart, Lung, and Blood Institute","ror":"https://ror.org/012pb6c26"},{"id":"https://openalex.org/F4320337375","display_name":"National Center for Research Resources","ror":"https://ror.org/04pw6fb54"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":43,"referenced_works":["https://openalex.org/W94606233","https://openalex.org/W1541824194","https://openalex.org/W1576773659","https://openalex.org/W1670146671","https://openalex.org/W1931265512","https://openalex.org/W1964274124","https://openalex.org/W1969122043","https://openalex.org/W1970516435","https://openalex.org/W1971816555","https://openalex.org/W1979046104","https://openalex.org/W1980285986","https://openalex.org/W2002755329","https://openalex.org/W2007463830","https://openalex.org/W2008970269","https://openalex.org/W2011245426","https://openalex.org/W2012691080","https://openalex.org/W2014123957","https://openalex.org/W2017996710","https://openalex.org/W2042071058","https://openalex.org/W2045251048","https://openalex.org/W2050470003","https://openalex.org/W2056503876","https://openalex.org/W2058008928","https://openalex.org/W2067455153","https://openalex.org/W2071981082","https://openalex.org/W2084266282","https://openalex.org/W2096149799","https://openalex.org/W2096729078","https://openalex.org/W2097519353","https://openalex.org/W2099900074","https://openalex.org/W2113264950","https://openalex.org/W2121612327","https://openalex.org/W2122521273","https://openalex.org/W2127116852","https://openalex.org/W2129157803","https://openalex.org/W2134427214","https://openalex.org/W2137724692","https://openalex.org/W2142602210","https://openalex.org/W2155524113","https://openalex.org/W2176516200","https://openalex.org/W2327664181","https://openalex.org/W2398680220","https://openalex.org/W2979245741"],"related_works":["https://openalex.org/W3180887190","https://openalex.org/W2320211095","https://openalex.org/W2308164565","https://openalex.org/W2062768126","https://openalex.org/W2017996710","https://openalex.org/W2127909173","https://openalex.org/W3143642740","https://openalex.org/W2025584407","https://openalex.org/W4285478100","https://openalex.org/W2167226024"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":5},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":2}],"updated_date":"2026-06-24T13:16:06.693445","created_date":"2025-10-10T00:00:00"}
