{"id":"https://openalex.org/W1978402738","doi":"https://doi.org/10.1124/dmd.31.4.412","title":"Characterization of Substrate Binding to Cytochrome P450 1A1 Using Molecular Modeling and Kinetic Analyses: Case of Residue 382","display_name":"Characterization of Substrate Binding to Cytochrome P450 1A1 Using Molecular Modeling and Kinetic Analyses: Case of Residue 382","publication_year":2003,"publication_date":"2003-03-18","ids":{"openalex":"https://openalex.org/W1978402738","doi":"https://doi.org/10.1124/dmd.31.4.412","mag":"1978402738","pmid":"https://pubmed.ncbi.nlm.nih.gov/12642467"},"language":"en","primary_location":{"id":"doi:10.1124/dmd.31.4.412","doi":"https://doi.org/10.1124/dmd.31.4.412","is_oa":false,"landing_page_url":"https://doi.org/10.1124/dmd.31.4.412","pdf_url":null,"source":{"id":"https://openalex.org/S145039780","display_name":"Drug Metabolism and Disposition","issn_l":"0090-9556","issn":["0090-9556","1521-009X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","doyens","jufo-2","ki-jl-2","medline","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310316283","host_organization_name":"American Society for Pharmacology and Experimental Therapeutics","host_organization_lineage":["https://openalex.org/P4310316283"],"host_organization_lineage_names":["American Society for Pharmacology and Experimental Therapeutics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Drug Metabolism and Disposition","raw_type":"journal-article"},"volume":null,"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":null,"display_name":"Jianguo Liu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I12097938","display_name":"West Virginia University","ror":"https://ror.org/011vxgd24","country_code":"US","type":"education","lineage":["https://openalex.org/I12097938"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jianguo Liu","raw_affiliation_strings":["Department of Basic Pharmaceutical Sciences, School of Pharmacy, West Virginia University, Morgantown, WV 26506-9530, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Basic Pharmaceutical Sciences, School of Pharmacy, West Virginia University, Morgantown, WV 26506-9530, USA","institution_ids":["https://openalex.org/I12097938"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024496300","display_name":"Spencer S. Ericksen","orcid":"https://orcid.org/0000-0003-4907-1160","observed_orcids":["https://orcid.org/0000-0003-4907-1160"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Spencer S. Ericksen","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074412075","display_name":"Dan Besspiata","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Dan Besspiata","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5114075997","display_name":"Charles Fisher","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Charles W. Fisher","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5063014050","display_name":"Gra\u017cyna D. Szklarz","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Grazyna D. Szklarz","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":null,"fwci":2.3091,"has_fulltext":false,"cited_by_count":51,"citation_normalized_percentile":{"value":0.8672533,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"31","issue":"4","first_page":"412","last_page":"420"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10375","display_name":"Pharmacogenetics and Drug Metabolism","score":0.8949999809265137,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10375","display_name":"Pharmacogenetics and Drug Metabolism","score":0.8949999809265137,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11747","display_name":"Metal-Catalyzed Oxygenation Mechanisms","score":0.08619999885559082,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic 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":0.004100000020116568,"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/cyp1a1","display_name":"CYP1A1","score":0.9470000267028809},{"id":"https://openalex.org/keywords/substrate-binding","display_name":"substrate binding","score":0.6859999895095825},{"id":"https://openalex.org/keywords/site-directed-mutagenesis","display_name":"site-directed mutagenesis","score":0.8090000152587891},{"id":"https://openalex.org/keywords/7-ethoxyresorufin","display_name":"7-ethoxyresorufin","score":0.8830000162124634},{"id":"https://openalex.org/keywords/o-dealkylation","display_name":"O-dealkylation","score":0.8299999833106995},{"id":"https://openalex.org/keywords/binding-free-energy","display_name":"binding free energy","score":0.7490000128746033},{"id":"https://openalex.org/keywords/enzyme-kinetics","display_name":"enzyme kinetics","score":0.5960000157356262},{"id":"https://openalex.org/keywords/homology-model","display_name":"homology model","score":0.5839999914169312}],"concepts":[{"id":"https://openalex.org/C143065580","wikidata":"https://www.wikidata.org/wiki/Q3285695","display_name":"Mutant","level":3,"score":0.7287017107009888},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.656766414642334},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6532962918281555},{"id":"https://openalex.org/C56856141","wikidata":"https://www.wikidata.org/wiki/Q883112","display_name":"Enzyme kinetics","level":4,"score":0.583402693271637},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.5756224989891052},{"id":"https://openalex.org/C103408237","wikidata":"https://www.wikidata.org/wiki/Q2642668","display_name":"Site-directed mutagenesis","level":4,"score":0.5529921054840088},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.5311630368232727},{"id":"https://openalex.org/C2778460671","wikidata":"https://www.wikidata.org/wiki/Q485277","display_name":"Histidine","level":3,"score":0.5122136473655701},{"id":"https://openalex.org/C526171541","wikidata":"https://www.wikidata.org/wiki/Q407693","display_name":"Cytochrome P450","level":3,"score":0.48702675104141235},{"id":"https://openalex.org/C16318435","wikidata":"https://www.wikidata.org/wiki/Q149299","display_name":"Mutagenesis","level":4,"score":0.48404616117477417},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4693357050418854},{"id":"https://openalex.org/C547475151","wikidata":"https://www.wikidata.org/wiki/Q25419","display_name":"Escherichia coli","level":3,"score":0.4649789333343506},{"id":"https://openalex.org/C207583985","wikidata":"https://www.wikidata.org/wiki/Q128723","display_name":"Wild type","level":4,"score":0.4468909502029419},{"id":"https://openalex.org/C169627665","wikidata":"https://www.wikidata.org/wiki/Q5767913","display_name":"Homology modeling","level":3,"score":0.42019665241241455},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3941141963005066},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.07947269082069397}],"mesh":[{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003001","descriptor_name":"Cloning, Molecular","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":"D006859","descriptor_name":"Hydrogen","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007930","descriptor_name":"Leucine","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D007930","descriptor_name":"Leucine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010078","descriptor_name":"Oxazines","qualifier_ui":"Q000493","qualifier_name":"pharmacokinetics","is_major_topic":false},{"descriptor_ui":"D010084","descriptor_name":"Oxidation-Reduction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013379","descriptor_name":"Substrate Specificity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013997","descriptor_name":"Time Factors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014633","descriptor_name":"Valine","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D014633","descriptor_name":"Valine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D015870","descriptor_name":"Gene Expression","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016297","descriptor_name":"Mutagenesis, Site-Directed","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017931","descriptor_name":"DNA Primers","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019363","descriptor_name":"Cytochrome P-450 CYP1A1","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D019363","descriptor_name":"Cytochrome P-450 CYP1A1","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D066298","descriptor_name":"In Vitro Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1124/dmd.31.4.412","doi":"https://doi.org/10.1124/dmd.31.4.412","is_oa":false,"landing_page_url":"https://doi.org/10.1124/dmd.31.4.412","pdf_url":null,"source":{"id":"https://openalex.org/S145039780","display_name":"Drug Metabolism and Disposition","issn_l":"0090-9556","issn":["0090-9556","1521-009X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","doyens","jufo-2","ki-jl-2","medline","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310316283","host_organization_name":"American Society for Pharmacology and Experimental Therapeutics","host_organization_lineage":["https://openalex.org/P4310316283"],"host_organization_lineage_names":["American Society for Pharmacology and Experimental Therapeutics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Drug Metabolism and Disposition","raw_type":"journal-article"},{"id":"pmid:12642467","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12642467","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":"Drug metabolism and disposition: the biological fate of chemicals","raw_type":"Comparative Study"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.97.7843","doi":null,"is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.97.7843","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://dmd.aspetjournals.org/cgi/reprint/31/4/412.pdf","raw_type":"text"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G2069552537","display_name":"ACTIVE SITES MODEL OF CYTOCHROMES P450 1A1 AND 1A2","funder_award_id":"1r15ca085542-01","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G2509409961","display_name":null,"funder_award_id":"CA 85542","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"},{"id":"https://openalex.org/G449543902","display_name":null,"funder_award_id":"RR-16440","funder_id":"https://openalex.org/F4320337375","funder_display_name":"National Center for Research Resources"},{"id":"https://openalex.org/G507980324","display_name":null,"funder_award_id":"ES07628","funder_id":"https://openalex.org/F4320337361","funder_display_name":"National Institute of Environmental Health Sciences"},{"id":"https://openalex.org/G5417591456","display_name":"Cobre for Signal Transduction and Cancer","funder_award_id":"P20RR016440","funder_id":"https://openalex.org/F4320337375","funder_display_name":"National Center for Research Resources"},{"id":"https://openalex.org/G8745640309","display_name":"RECOMBINANT P450 FOR TOXICOLOGY SCREENING","funder_award_id":"7r01es007628-04","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337351","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81"},{"id":"https://openalex.org/F4320337361","display_name":"National Institute of Environmental Health Sciences","ror":"https://ror.org/00j4k1h63"},{"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":41,"referenced_works":["https://openalex.org/W44103836","https://openalex.org/W1516052403","https://openalex.org/W1532212858","https://openalex.org/W1538741532","https://openalex.org/W1563896178","https://openalex.org/W1579297624","https://openalex.org/W1775749144","https://openalex.org/W1951469402","https://openalex.org/W1965548361","https://openalex.org/W1972967432","https://openalex.org/W1978524270","https://openalex.org/W1990183324","https://openalex.org/W1997585439","https://openalex.org/W2006668832","https://openalex.org/W2006998778","https://openalex.org/W2010279746","https://openalex.org/W2012271559","https://openalex.org/W2012370023","https://openalex.org/W2015237406","https://openalex.org/W2031024659","https://openalex.org/W2052947697","https://openalex.org/W2057851080","https://openalex.org/W2058698055","https://openalex.org/W2062266108","https://openalex.org/W2066683571","https://openalex.org/W2087698050","https://openalex.org/W2087699848","https://openalex.org/W2089192527","https://openalex.org/W2092959529","https://openalex.org/W2093401853","https://openalex.org/W2094811660","https://openalex.org/W2099397781","https://openalex.org/W2100837269","https://openalex.org/W2106109834","https://openalex.org/W2137300266","https://openalex.org/W2148821777","https://openalex.org/W2153503476","https://openalex.org/W2162559665","https://openalex.org/W6647795430","https://openalex.org/W6653790905","https://openalex.org/W6674852846"],"related_works":["https://openalex.org/W2081110707","https://openalex.org/W3210132584","https://openalex.org/W2163114090","https://openalex.org/W7096934811","https://openalex.org/W1987667080","https://openalex.org/W1972967432","https://openalex.org/W2803846529","https://openalex.org/W2304979214","https://openalex.org/W2009709694","https://openalex.org/W2285304627"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":3},{"year":2018,"cited_by_count":2},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":6}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}
