title: Identification of a 2-D geometric descriptor associated with non-genotoxic carcinogens and some estrogens and antiestrogens.
abstract: A distance descriptor (6A) originally associated with non-genotoxic mouse carcinogens has been found to be present in some, but not all, estrogens and antiestrogens. It is hypothesized that this descriptor describes a ligand binding site on an estrogen receptor. Evidence is presented that those estrogens and antiestrogens not containing the 6A distance bind to a different receptor. It is conceivable that binding to the receptor that recognizes the 6A distance is associated with carcinogenicity.
authors.affiliation: Department of Environmental and Occupational Health, University of Pittsburgh, PA 15238, USA.
authors.forename: H S
authors.initials: HS
authors.lastname: Rosenkranz
authors.forename: A
authors.initials: A
authors.lastname: Cunningham
authors.forename: G
authors.initials: G
authors.lastname: Klopman
mesh_terms: D000818:Animals; D001665:Binding Sites; D002273:Carcinogens / Q000737:chemistry* / Q000378:metabolism / Q000633:toxicity; D004965:Estrogen Antagonists / Q000737:chemistry* / Q000378:metabolism / Q000633:toxicity; D004967:Estrogens / Q000737:chemistry* / Q000378:metabolism / Q000633:toxicity; D005103:Expert Systems; D051379:Mice; D008956:Models, Chemical; D015394:Molecular Structure; D009153:Mutagens / Q000737:chemistry* / Q000378:metabolism / Q000633:toxicity; D011960:Receptors, Estrogen / Q000737:chemistry / Q000187:drug effects / Q000378:metabolism; D012984:Software; D013329:Structure-Activity Relationship
chemical_list: D002273:Carcinogens; D004965:Estrogen Antagonists; D004967:Estrogens; D009153:Mutagens; D011960:Receptors, Estrogen