{"id":"https://openalex.org/W2052604239","doi":"https://doi.org/10.1021/jm970725m","title":"Effect of Steroids on DNA Synthesis in an in Vitro Replication System: Initial Quantitative Structure\u2212Activity Relationship Studies and Construction of a Non-Estrogen Receptor Pharmacophore","display_name":"Effect of Steroids on DNA Synthesis in an in Vitro Replication System: Initial Quantitative Structure\u2212Activity Relationship Studies and Construction of a Non-Estrogen Receptor Pharmacophore","publication_year":1998,"publication_date":"1998-04-01","ids":{"openalex":"https://openalex.org/W2052604239","doi":"https://doi.org/10.1021/jm970725m","mag":"2052604239","pmid":"https://pubmed.ncbi.nlm.nih.gov/9554872"},"language":"en","primary_location":{"id":"doi:10.1021/jm970725m","doi":"https://doi.org/10.1021/jm970725m","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jm970725m","pdf_url":null,"source":{"id":"https://openalex.org/S162030435","display_name":"Journal of Medicinal Chemistry","issn_l":"0022-2623","issn":["0022-2623","1520-4804"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-3","ki-jl-2","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Medicinal Chemistry","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":"https://openalex.org/A5037953650","display_name":"Kamal Azzaoui","orcid":"https://orcid.org/0000-0001-8872-3753","observed_orcids":["https://orcid.org/0000-0001-8872-3753"]},"institutions":[{"id":"https://openalex.org/I5023651","display_name":"McGill University","ror":"https://ror.org/01pxwe438","country_code":"CA","type":"education","lineage":["https://openalex.org/I5023651"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Kamal Azzaoui","raw_affiliation_strings":["Department of Oncology, Pharmacokinetics Division, Department of Pharmacology and Therapeutics, and Department of Medicine, McGill University, Montreal, Quebec, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Oncology, Pharmacokinetics Division, Department of Pharmacology and Therapeutics, and Department of Medicine, McGill University, Montreal, Quebec, Canada","institution_ids":["https://openalex.org/I5023651"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059982889","display_name":"Maria J. Diaz\u2010Perez","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I5023651","display_name":"McGill University","ror":"https://ror.org/01pxwe438","country_code":"CA","type":"education","lineage":["https://openalex.org/I5023651"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Maria J. Diaz-Perez","raw_affiliation_strings":["Department of Oncology, Pharmacokinetics Division, Department of Pharmacology and Therapeutics, and Department of Medicine, McGill University, Montreal, Quebec, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Oncology, Pharmacokinetics Division, Department of Pharmacology and Therapeutics, and Department of Medicine, McGill University, Montreal, Quebec, Canada","institution_ids":["https://openalex.org/I5023651"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054297600","display_name":"Maria Zannis\u2010Hadjopoulos","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I5023651","display_name":"McGill University","ror":"https://ror.org/01pxwe438","country_code":"CA","type":"education","lineage":["https://openalex.org/I5023651"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Maria Zannis-Hadjoupoulos","raw_affiliation_strings":["Department of Oncology, Pharmacokinetics Division, Department of Pharmacology and Therapeutics, and Department of Medicine, McGill University, Montreal, Quebec, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Oncology, Pharmacokinetics Division, Department of Pharmacology and Therapeutics, and Department of Medicine, McGill University, Montreal, Quebec, Canada","institution_ids":["https://openalex.org/I5023651"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113498798","display_name":"Gerald B. Price","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I5023651","display_name":"McGill University","ror":"https://ror.org/01pxwe438","country_code":"CA","type":"education","lineage":["https://openalex.org/I5023651"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Gerry B. Price","raw_affiliation_strings":["Department of Oncology, Pharmacokinetics Division, Department of Pharmacology and Therapeutics, and Department of Medicine, McGill University, Montreal, Quebec, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Oncology, Pharmacokinetics Division, Department of Pharmacology and Therapeutics, and Department of Medicine, McGill University, Montreal, Quebec, Canada","institution_ids":["https://openalex.org/I5023651"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5073267357","display_name":"Irving W. Wainer","orcid":"https://orcid.org/0000-0003-1643-5845","observed_orcids":["https://orcid.org/0000-0003-1643-5845"]},"institutions":[{"id":"https://openalex.org/I5023651","display_name":"McGill University","ror":"https://ror.org/01pxwe438","country_code":"CA","type":"education","lineage":["https://openalex.org/I5023651"]}],"countries":["CA"],"is_corresponding":true,"raw_author_name":"Irving W. Wainer","raw_affiliation_strings":["Department of Oncology, Pharmacokinetics Division, Department of Pharmacology and Therapeutics, and Department of Medicine, McGill University, Montreal, Quebec, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Oncology, Pharmacokinetics Division, Department of Pharmacology and Therapeutics, and Department of Medicine, McGill University, Montreal, Quebec, Canada","institution_ids":["https://openalex.org/I5023651"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5073267357"],"corresponding_institution_ids":["https://openalex.org/I5023651"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":0.5032,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.66916853,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"41","issue":"9","first_page":"1392","last_page":"1398"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9550999999046326,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9550999999046326,"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"}},{"id":"https://openalex.org/T10756","display_name":"Estrogen and related hormone effects","score":0.030500000342726707,"subfield":{"id":"https://openalex.org/subfields/1311","display_name":"Genetics"},"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/T12356","display_name":"Bioactive Compounds and Antitumor Agents","score":0.0020000000949949026,"subfield":{"id":"https://openalex.org/subfields/3005","display_name":"Toxicology"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/steroids","display_name":"steroids","score":0.859000027179718},{"id":"https://openalex.org/keywords/dna-synthesis","display_name":"DNA synthesis","score":0.9520000219345093},{"id":"https://openalex.org/keywords/dna-replication","display_name":"DNA replication","score":0.796999990940094},{"id":"https://openalex.org/keywords/carcinogenesis","display_name":"carcinogenesis","score":0.6240000128746033},{"id":"https://openalex.org/keywords/qsar","display_name":"QSAR","score":0.8759999871253967},{"id":"https://openalex.org/keywords/3d-qsar","display_name":"3D-QSAR","score":0.9240000247955322},{"id":"https://openalex.org/keywords/pharmacophore","display_name":"pharmacophore","score":0.9620000123977661},{"id":"https://openalex.org/keywords/dipole-moment","display_name":"dipole moment","score":0.9539999961853027},{"id":"https://openalex.org/keywords/conformational-analysis","display_name":"conformational analysis","score":0.5720000267028809}],"concepts":[{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.9264806509017944},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8877289295196533},{"id":"https://openalex.org/C2777366897","wikidata":"https://www.wikidata.org/wiki/Q847482","display_name":"HeLa","level":3,"score":0.6495671272277832},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.6339373588562012},{"id":"https://openalex.org/C552990157","wikidata":"https://www.wikidata.org/wiki/Q7430","display_name":"DNA","level":2,"score":0.5940948724746704},{"id":"https://openalex.org/C73573662","wikidata":"https://www.wikidata.org/wiki/Q130996","display_name":"DNA replication","level":3,"score":0.5662207007408142},{"id":"https://openalex.org/C84606932","wikidata":"https://www.wikidata.org/wiki/Q416496","display_name":"Estrogen receptor","level":4,"score":0.49563920497894287},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.4874103367328644},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.47824445366859436},{"id":"https://openalex.org/C2777164284","wikidata":"https://www.wikidata.org/wiki/Q277954","display_name":"Estrogen","level":2,"score":0.44357430934906006},{"id":"https://openalex.org/C64241487","wikidata":"https://www.wikidata.org/wiki/Q5205774","display_name":"DNA synthesis","level":3,"score":0.41661399602890015},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2569637894630432},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.08999285101890564},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.07496514916419983},{"id":"https://openalex.org/C530470458","wikidata":"https://www.wikidata.org/wiki/Q128581","display_name":"Breast cancer","level":3,"score":0.0},{"id":"https://openalex.org/C121608353","wikidata":"https://www.wikidata.org/wiki/Q12078","display_name":"Cancer","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D004247","descriptor_name":"DNA","qualifier_ui":"Q000096","qualifier_name":"biosynthesis","is_major_topic":true},{"descriptor_ui":"D004261","descriptor_name":"DNA Replication","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D006367","descriptor_name":"HeLa Cells","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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011987","descriptor_name":"Receptors, Steroid","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D011987","descriptor_name":"Receptors, Steroid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013256","descriptor_name":"Steroids","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D013256","descriptor_name":"Steroids","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D013256","descriptor_name":"Steroids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/jm970725m","doi":"https://doi.org/10.1021/jm970725m","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jm970725m","pdf_url":null,"source":{"id":"https://openalex.org/S162030435","display_name":"Journal of Medicinal Chemistry","issn_l":"0022-2623","issn":["0022-2623","1520-4804"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-3","ki-jl-2","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Medicinal Chemistry","raw_type":"journal-article"},{"id":"pmid:9554872","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/9554872","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 medicinal chemistry","raw_type":"Comparative Study"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.8048999905586243}],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":11,"referenced_works":["https://openalex.org/W7619323","https://openalex.org/W620694663","https://openalex.org/W625434561","https://openalex.org/W1826446604","https://openalex.org/W1970949739","https://openalex.org/W1991356707","https://openalex.org/W1991574617","https://openalex.org/W2007331274","https://openalex.org/W2048312836","https://openalex.org/W2060155493","https://openalex.org/W2130340232"],"related_works":["https://openalex.org/W1995221089","https://openalex.org/W6996032736","https://openalex.org/W2058286029","https://openalex.org/W1997868550","https://openalex.org/W2405848181","https://openalex.org/W2002367289","https://openalex.org/W2774017617","https://openalex.org/W2093689645","https://openalex.org/W2222573588","https://openalex.org/W2034021405"],"abstract_inverted_index":{"The":[0,42,97],"molecular":[1],"mechanism(s)":[2],"by":[3],"which":[4],"steroids":[5,21,93],"affect":[6],"carcinogenesis":[7],"is":[8,128,136,143],"an":[9,23,72],"active":[10,178,194],"area":[11],"of":[12,19,33,39,58,75,91,103,160,177],"investigation.":[13],"Recent":[14],"studies":[15,49],"with":[16,69,94],"a":[17,30,175,202],"series":[18],"related":[20,108],"in":[22,24,47,152],"vitro":[25],"DNA":[26,40,104],"replication":[27,63,105],"system":[28,45],"produced":[29],"wide":[31],"range":[32],"effects":[34,60],"including":[35],"enhancement":[36],"and":[37,141,169,189,192,196],"inhibition":[38],"synthesis.":[41],"HeLa":[43],"cell-free":[44],"used":[46,85,173],"these":[48,92],"did":[50],"not":[51],"contain":[52],"estrogen":[53,70],"receptors.":[54],"Since":[55],"the":[56,76,88,101,114,129,133,137,144,149,153,158,161,165,193],"majority":[57],"hormone":[59],"on":[61,132,148],"cellular":[62],"have":[64],"been":[65],"attributed":[66],"to":[67,86,109,113],"interactions":[68],"receptors,":[71],"alternative":[73],"description":[74],"results":[77,98],"was":[78,172,183],"required.":[79],"Quantitative":[80],"structure-activity":[81],"relationships":[82],"(QSARs)":[83],"were":[84,199],"relate":[87],"observed":[89],"bioactivity":[90],"their":[95],"structure.":[96],"indicate":[99],"that":[100],"percentage":[102],"could":[106],"be":[107],"three":[110],"parameters":[111],"according":[112],"following":[115],"equation:":[116],"%DNA":[117],"=":[118],"23.9(+/-3.8)Xdipact":[119],"+":[120,124],"57.8(+/-22.4)Hyd":[121],"-":[122],"19.4(+/-10.4)Biophpi":[123],"128.9,":[125],"where":[126],"Xdipact":[127],"dipole":[130,166],"moment":[131,167],"X-axis,":[134],"Hyd":[135],"atomic":[138,145],"hydrophobicity":[139],"index,":[140],"Biophpi":[142],"pi":[146],"population":[147],"heteroatom":[150],"found":[151],"pharmacophore.":[154],"For":[155],"each":[156],"molecule,":[157],"orientation":[159],"functional":[162],"groups":[163],"changed":[164],"value,":[168],"this":[170],"descriptor":[171],"as":[174],"selector":[176],"conformations.":[179],"A":[180],"3D-QSAR":[181],"model":[182],"then":[184],"constructed":[185],"combining":[186],"pharmacophoric":[187],"features":[188],"global":[190],"properties,":[191],"space":[195,198],"inactive":[197],"defined":[200],"using":[201],"Boolean":[203],"volumetric":[204],"operation.":[205]},"counts_by_year":[{"year":2012,"cited_by_count":1}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}
