{"id":"https://openalex.org/W2162824980","doi":"https://doi.org/10.1002/jmr.2221","title":"Drug\u2010binding energetics of human \u03b1\u20101\u2010acid glycoprotein assessed by isothermal titration calorimetry and molecular docking simulations","display_name":"Drug\u2010binding energetics of human \u03b1\u20101\u2010acid glycoprotein assessed by isothermal titration calorimetry and molecular docking simulations","publication_year":2012,"publication_date":"2012-11-21","ids":{"openalex":"https://openalex.org/W2162824980","doi":"https://doi.org/10.1002/jmr.2221","mag":"2162824980","pmid":"https://pubmed.ncbi.nlm.nih.gov/23192962","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/3513776"},"language":"en","primary_location":{"id":"doi:10.1002/jmr.2221","doi":"https://doi.org/10.1002/jmr.2221","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jmr.2221","pdf_url":null,"source":{"id":"https://openalex.org/S205370667","display_name":"Journal of Molecular Recognition","issn_l":"0952-3499","issn":["0952-3499","1099-1352"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Recognition","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3513776","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5030799138","display_name":"Johnny X. Huang","orcid":"https://orcid.org/0000-0003-3595-208X","observed_orcids":["https://orcid.org/0000-0003-3595-208X"]},"institutions":[{"id":"https://openalex.org/I165143802","display_name":"The University of Queensland","ror":"https://ror.org/00rqy9422","country_code":"AU","type":"education","lineage":["https://openalex.org/I165143802"]},{"id":"https://openalex.org/I4405277047","display_name":"Institute for Molecular Bioscience","ror":"https://ror.org/018kjjj71","country_code":"AU","type":"facility","lineage":["https://openalex.org/I165143802","https://openalex.org/I4405277047"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Johnny X. Huang","raw_affiliation_strings":["Institute for Molecular Bioscience, University of Queensland, Brisbane, Queensland, 4072 Australia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute for Molecular Bioscience, University of Queensland, Brisbane, Queensland, 4072 Australia","institution_ids":["https://openalex.org/I165143802","https://openalex.org/I4405277047"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074910442","display_name":"Matthew A. Cooper","orcid":"https://orcid.org/0000-0003-3147-3460","observed_orcids":["https://orcid.org/0000-0003-3147-3460","https://orcid.org/0000-0002-1659-6860"]},"institutions":[{"id":"https://openalex.org/I165143802","display_name":"The University of Queensland","ror":"https://ror.org/00rqy9422","country_code":"AU","type":"education","lineage":["https://openalex.org/I165143802"]},{"id":"https://openalex.org/I4405277047","display_name":"Institute for Molecular Bioscience","ror":"https://ror.org/018kjjj71","country_code":"AU","type":"facility","lineage":["https://openalex.org/I165143802","https://openalex.org/I4405277047"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Matthew A. Cooper","raw_affiliation_strings":["Institute for Molecular Bioscience, University of Queensland, Brisbane, Queensland, 4072 Australia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute for Molecular Bioscience, University of Queensland, Brisbane, Queensland, 4072 Australia","institution_ids":["https://openalex.org/I165143802","https://openalex.org/I4405277047"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067380502","display_name":"Mark A. Baker","orcid":"https://orcid.org/0000-0003-3933-9784","observed_orcids":["https://orcid.org/0000-0003-3933-9784"]},"institutions":[{"id":"https://openalex.org/I78757542","display_name":"University of Newcastle Australia","ror":"https://ror.org/00eae9z71","country_code":"AU","type":"education","lineage":["https://openalex.org/I78757542"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Mark A. Baker","raw_affiliation_strings":["Priority Research Centre in Reproductive Science, School of Environmental and Life Sciences, University of Newcastle, Callaghan, New Castle, New South Wales, 2308 Australia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Priority Research Centre in Reproductive Science, School of Environmental and Life Sciences, University of Newcastle, Callaghan, New Castle, New South Wales, 2308 Australia","institution_ids":["https://openalex.org/I78757542"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110678105","display_name":"Mohammad Abul Kalam Azad","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I56590836","display_name":"Monash University","ror":"https://ror.org/02bfwt286","country_code":"AU","type":"education","lineage":["https://openalex.org/I56590836"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Mohammad A. K. Azad","raw_affiliation_strings":["Drug Delivery, Disposition and Dynamics, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Melbourne, Victoria, 3052 Australia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Drug Delivery, Disposition and Dynamics, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Melbourne, Victoria, 3052 Australia","institution_ids":["https://openalex.org/I56590836"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073046394","display_name":"Roger L. Nation","orcid":"https://orcid.org/0000-0003-1492-8590","observed_orcids":["https://orcid.org/0000-0003-1492-8590"]},"institutions":[{"id":"https://openalex.org/I56590836","display_name":"Monash University","ror":"https://ror.org/02bfwt286","country_code":"AU","type":"education","lineage":["https://openalex.org/I56590836"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Roger L. Nation","raw_affiliation_strings":["Drug Delivery, Disposition and Dynamics, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Melbourne, Victoria, 3052 Australia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Drug Delivery, Disposition and Dynamics, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Melbourne, Victoria, 3052 Australia","institution_ids":["https://openalex.org/I56590836"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100402427","display_name":"Jian Li","orcid":"https://orcid.org/0000-0001-7953-8230","observed_orcids":["https://orcid.org/0000-0001-7953-8230"]},"institutions":[{"id":"https://openalex.org/I56590836","display_name":"Monash University","ror":"https://ror.org/02bfwt286","country_code":"AU","type":"education","lineage":["https://openalex.org/I56590836"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Jian Li","raw_affiliation_strings":["Drug Delivery, Disposition and Dynamics, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Melbourne, Victoria, 3052 Australia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Drug Delivery, Disposition and Dynamics, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Melbourne, Victoria, 3052 Australia","institution_ids":["https://openalex.org/I56590836"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5020748618","display_name":"Tony Velkov","orcid":"https://orcid.org/0000-0002-0017-7952","observed_orcids":["https://orcid.org/0000-0002-0017-7952"]},"institutions":[{"id":"https://openalex.org/I56590836","display_name":"Monash University","ror":"https://ror.org/02bfwt286","country_code":"AU","type":"education","lineage":["https://openalex.org/I56590836"]}],"countries":["AU"],"is_corresponding":true,"raw_author_name":"Tony Velkov","raw_affiliation_strings":["Drug Delivery, Disposition and Dynamics, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Melbourne, Victoria, 3052 Australia","T. Velkov, Drug Delivery, Disposition and Dynamics, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria 3052, Australia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Drug Delivery, Disposition and Dynamics, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Melbourne, Victoria, 3052 Australia","institution_ids":["https://openalex.org/I56590836"]},{"raw_affiliation_string":"T. Velkov, Drug Delivery, Disposition and Dynamics, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria 3052, Australia","institution_ids":["https://openalex.org/I56590836"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5020748618"],"corresponding_institution_ids":["https://openalex.org/I56590836"],"apc_list":{"value":3800,"currency":"USD","value_usd":3800},"apc_paid":null,"fwci":0.6422,"has_fulltext":false,"cited_by_count":30,"citation_normalized_percentile":{"value":0.66793261,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"25","issue":"12","first_page":"642","last_page":"656"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11908","display_name":"Protein Interaction Studies and Fluorescence Analysis","score":0.8682000041007996,"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/T11908","display_name":"Protein Interaction Studies and Fluorescence Analysis","score":0.8682000041007996,"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/T13539","display_name":"thermodynamics and calorimetric analyses","score":0.13040000200271606,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.00039999998989515007,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/alpha-1-acid-glycoprotein","display_name":"alpha-1-acid glycoprotein","score":0.9269999861717224},{"id":"https://openalex.org/keywords/drug-protein-binding","display_name":"drug-protein binding","score":0.5299999713897705},{"id":"https://openalex.org/keywords/tricyclic-antidepressants","display_name":"tricyclic antidepressants","score":0.8939999938011169},{"id":"https://openalex.org/keywords/chlorpromazine","display_name":"chlorpromazine","score":0.9959999918937683},{"id":"https://openalex.org/keywords/disopyramide","display_name":"disopyramide","score":0.9990000128746033},{"id":"https://openalex.org/keywords/cimetidine","display_name":"cimetidine","score":1.0},{"id":"https://openalex.org/keywords/enthalpy-entropy-compensation","display_name":"enthalpy-entropy compensation","score":0.9470000267028809},{"id":"https://openalex.org/keywords/protonation-and-deprotonation","display_name":"protonation and deprotonation","score":0.722000002861023},{"id":"https://openalex.org/keywords/ionic-strength-effects","display_name":"ionic strength effects","score":0.8460000157356262},{"id":"https://openalex.org/keywords/temperature-effects","display_name":"temperature effects","score":0.6650000214576721},{"id":"https://openalex.org/keywords/ligand-binding-cavity","display_name":"ligand-binding cavity","score":0.7250000238418579},{"id":"https://openalex.org/keywords/binding-free-energy","display_name":"binding free energy","score":0.6200000047683716}],"concepts":[{"id":"https://openalex.org/C156911925","wikidata":"https://www.wikidata.org/wiki/Q643384","display_name":"Isothermal titration calorimetry","level":2,"score":0.9032434225082397},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8312217593193054},{"id":"https://openalex.org/C146477669","wikidata":"https://www.wikidata.org/wiki/Q334631","display_name":"Gibbs free energy","level":2,"score":0.6227378845214844},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.5577051043510437},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5184035301208496},{"id":"https://openalex.org/C3288061","wikidata":"https://www.wikidata.org/wiki/Q161064","display_name":"Enthalpy","level":2,"score":0.5045241117477417},{"id":"https://openalex.org/C22499117","wikidata":"https://www.wikidata.org/wiki/Q2253702","display_name":"Interaction energy","level":3,"score":0.4447837769985199},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4403077960014343},{"id":"https://openalex.org/C192071366","wikidata":"https://www.wikidata.org/wiki/Q2991682","display_name":"Drug design","level":2,"score":0.43623101711273193},{"id":"https://openalex.org/C69308434","wikidata":"https://www.wikidata.org/wiki/Q5160266","display_name":"Conformational entropy","level":3,"score":0.4241650700569153},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3703417181968689},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3454534709453583},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.28416457772254944},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.2018820345401764},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002151","descriptor_name":"Calorimetry","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004734","descriptor_name":"Energy Metabolism","qualifier_ui":"Q000502","qualifier_name":"physiology","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":"D008954","descriptor_name":"Models, Biological","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":"D009961","descriptor_name":"Orosomucoid","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D009961","descriptor_name":"Orosomucoid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017186","descriptor_name":"Titrimetry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true}],"locations_count":5,"locations":[{"id":"doi:10.1002/jmr.2221","doi":"https://doi.org/10.1002/jmr.2221","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jmr.2221","pdf_url":null,"source":{"id":"https://openalex.org/S205370667","display_name":"Journal of Molecular Recognition","issn_l":"0952-3499","issn":["0952-3499","1099-1352"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Recognition","raw_type":"journal-article"},{"id":"pmid:23192962","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23192962","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,"listed_in":[],"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 molecular recognition : JMR","raw_type":"Journal Article"},{"id":"pmh:oai:europepmc.org:2516229","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3513776","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,"listed_in":[],"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":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:3513776","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3513776","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,"listed_in":[],"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":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"J Mol Recognit","raw_type":"Text"},{"id":"pmh:uon:22095","doi":null,"is_oa":false,"landing_page_url":"http://hdl.handle.net/1959.13/1310814","pdf_url":null,"source":{"id":"https://openalex.org/S4377196471","display_name":"NOVA (University of Newcastle Australia)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I78757542","host_organization_name":"University of Newcastle Australia","host_organization_lineage":["https://openalex.org/I78757542"],"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":"journal article"}],"best_oa_location":{"id":"pmh:oai:europepmc.org:2516229","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3513776","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,"listed_in":[],"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":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"Text"},"sustainable_development_goals":[{"score":0.5683000087738037,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G3273711892","display_name":"Optimizing Dosing of Colistin for Infections Resistant to all Other Antibiotics","funder_award_id":"R01AI070896","funder_id":"https://openalex.org/F4320337355","funder_display_name":"National Institute of Allergy and Infectious Diseases"},{"id":"https://openalex.org/G5292789683","display_name":null,"funder_award_id":"R01A1070896","funder_id":"https://openalex.org/F4320332505","funder_display_name":"U.S. Public Health Service"},{"id":"https://openalex.org/G5975211804","display_name":"Targeting MDR hetero-resistant Gram-negatives: PK/PD for rational combinations","funder_award_id":"R01AI079330","funder_id":"https://openalex.org/F4320337355","funder_display_name":"National Institute of Allergy and Infectious Diseases"}],"funders":[{"id":"https://openalex.org/F4320332505","display_name":"U.S. Public Health Service","ror":"https://ror.org/05xf94514"},{"id":"https://openalex.org/F4320337355","display_name":"National Institute of Allergy and Infectious Diseases","ror":"https://ror.org/043z4tv69"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":75,"referenced_works":["https://openalex.org/W14366731","https://openalex.org/W163526048","https://openalex.org/W1523851360","https://openalex.org/W1569494614","https://openalex.org/W1605280622","https://openalex.org/W1648971203","https://openalex.org/W1807750152","https://openalex.org/W1859096580","https://openalex.org/W1900827940","https://openalex.org/W1965029111","https://openalex.org/W1969314960","https://openalex.org/W1973266360","https://openalex.org/W1974608867","https://openalex.org/W1977830653","https://openalex.org/W1977918314","https://openalex.org/W1981202673","https://openalex.org/W1984081429","https://openalex.org/W1985588649","https://openalex.org/W1987525830","https://openalex.org/W1988167111","https://openalex.org/W1990063775","https://openalex.org/W1993701927","https://openalex.org/W1994484797","https://openalex.org/W1994735865","https://openalex.org/W1997768049","https://openalex.org/W1998502389","https://openalex.org/W2002645851","https://openalex.org/W2004343588","https://openalex.org/W2005167939","https://openalex.org/W2010193651","https://openalex.org/W2013829288","https://openalex.org/W2019466240","https://openalex.org/W2019727704","https://openalex.org/W2020357919","https://openalex.org/W2022189808","https://openalex.org/W2025584407","https://openalex.org/W2029015537","https://openalex.org/W2032371840","https://openalex.org/W2036620149","https://openalex.org/W2038438679","https://openalex.org/W2039032004","https://openalex.org/W2040141270","https://openalex.org/W2043143295","https://openalex.org/W2045607966","https://openalex.org/W2049285320","https://openalex.org/W2050019280","https://openalex.org/W2052747455","https://openalex.org/W2054155782","https://openalex.org/W2058169850","https://openalex.org/W2062248000","https://openalex.org/W2064287238","https://openalex.org/W2069079485","https://openalex.org/W2071692690","https://openalex.org/W2073728193","https://openalex.org/W2074273453","https://openalex.org/W2079182358","https://openalex.org/W2080393107","https://openalex.org/W2081387967","https://openalex.org/W2081639720","https://openalex.org/W2084368860","https://openalex.org/W2089282467","https://openalex.org/W2090286141","https://openalex.org/W2096092125","https://openalex.org/W2097593995","https://openalex.org/W2118675755","https://openalex.org/W2135314048","https://openalex.org/W2139977174","https://openalex.org/W2141049415","https://openalex.org/W2153307751","https://openalex.org/W2154388580","https://openalex.org/W2169470129","https://openalex.org/W2352843379","https://openalex.org/W2416172159","https://openalex.org/W2466900850","https://openalex.org/W4301295112"],"related_works":["https://openalex.org/W4378516390","https://openalex.org/W2485487512","https://openalex.org/W2061164789","https://openalex.org/W3196117364","https://openalex.org/W3195084294","https://openalex.org/W2052278157","https://openalex.org/W2022189808","https://openalex.org/W7131943769","https://openalex.org/W2085342864","https://openalex.org/W2948224717"],"abstract_inverted_index":{"This":[0],"study":[1],"utilizes":[2],"sensitive,":[3],"modern":[4],"isothermal":[5],"titration":[6],"calorimetric":[7],"methods":[8],"to":[9,22,34,139,157,162],"characterize":[10],"the":[11,17,29,41,50,79,83,98,104,120,140,146,150,168,188],"microscopic":[12],"thermodynamic":[13,30,99],"parameters":[14,100],"that":[15,108,149,153],"drive":[16,154],"binding":[18,45,66,117,156,192],"of":[19,40,46,72,82,97,103,119,128,171,181],"basic":[20,47],"drugs":[21],"\u03b1-1-acid":[23],"glycoprotein":[24],"(AGP)":[25],"and":[26,37,59,78,85,133,159,173,183],"thereby":[27],"rationalize":[28],"data":[31,147],"in":[32,113],"relation":[33],"docking":[35],"models":[36],"crystallographic":[38],"structures":[39],"drug-AGP":[42],"complexes.":[43],"The":[44,70,115],"compounds":[48,106,122],"from":[49,167,176],"tricyclic":[51],"antidepressant":[52],"series,":[53],"together":[54],"with":[55,68,178],"miaserine,":[56],"chlorpromazine,":[57],"disopyramide":[58],"cimetidine,":[60],"all":[61,102],"displayed":[62],"an":[63,109],"exothermically":[64],"driven":[65,124],"interaction":[67],"AGP.":[69],"impact":[71],"protonation/deprotonation":[73],"events,":[74],"ionic":[75],"strength,":[76],"temperature":[77],"individual":[80],"selectivity":[81],"A":[84,94],"F1*S":[86],"AGP":[87,158,190],"variants":[88],"on":[89],"drug-binding":[90],"thermodynamics":[91],"was":[92],"characterized.":[93],"correlation":[95],"plot":[96],"for":[101],"test":[105,121],"revealed":[107],"enthalpy-entropy":[110],"compensation":[111],"is":[112],"effect.":[114],"exothermic":[116],"energetics":[118],"were":[123],"by":[125],"a":[126],"combination":[127],"favorable":[129,134],"(negative)":[130],"enthalpic":[131,172],"(\u2206H\u00ba)":[132],"(positive)":[135],"entropic":[136,174],"(\u2206S\u00ba)":[137],"contributions":[138],"Gibbs":[141],"free":[142,151],"energy":[143],"(\u2206G\u00ba).":[144],"Collectively,":[145],"imply":[148],"energies":[152],"drug":[155,163],"its":[160],"relationship":[161],"serum":[164],"residency":[165],"evolve":[166],"complex":[169],"interplay":[170],"forces":[175],"interactions":[177],"explicit":[179],"combinations":[180],"hydrophobic":[182],"polar":[184],"side-chain":[185],"sub-domains":[186],"within":[187],"multi-lobed":[189],"ligand":[191],"cavity.":[193]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":4},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":2},{"year":2013,"cited_by_count":3}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}
