Identification of a 2-D geometric descriptor associated with non-genotoxic carcinogens and some estrogens and antiestrogens.
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.
Rosenkranz
H S
HS
Department of Environmental and Occupational Health, University of Pittsburgh, PA 15238, USA.
Cunningham
A
A
Klopman
G
G
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
D002273:Carcinogens; D004965:Estrogen Antagonists; D004967:Estrogens; D009153:Mutagens; D011960:Receptors, Estrogen