Application of structural concepts to evaluate the potential carcinogenicity of natural products.
The expert structure-activity relational system CASE/MULTICASE was used to obtain an assessment of the possible carcinogenicity of selligueain A, a plant-derived sweetener. Based upon a series of authoritative data bases it was predicted that this chemical had some marginal potential for being a 'non-genotoxic' rodent carcinogen. The relevance of this potential to possible human health risks is problematic. Still, given the fact that successful sweetener may be widely consumed, should this chemical be developed further, experimental determinations of its potential carcinogenicity appear in order.
Rosenkranz
H S
HS
Department of Environmental and Occupational Health, University of Pittsburgh, PA 15238, USA.
Liu
M
M
Cunningham
A
A
Klopman
G
G
D000818:Animals; D000872:Anthocyanins / Q000737:chemistry / Q000633:toxicity; D002273:Carcinogens / Q000737:chemistry* / Q000633:toxicity*; D016208:Databases, Factual; D004563:Electrochemistry; D005103:Expert Systems; D051379:Mice; D008807:Mice, Inbred BALB C; D009152:Mutagenicity Tests; D044945:Proanthocyanidins; D012475:Salmonella / Q000187:drug effects / Q000235:genetics; D013329:Structure-Activity Relationship; D013549:Sweetening Agents / Q000737:chemistry / Q000633:toxicity
D000872:Anthocyanins; D002273:Carcinogens; D044945:Proanthocyanidins; D013549:Sweetening Agents; C084699:selligueain A