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Quantitative-Structure Activity Relationship (QSAR) Model for Abuse-liability Evaluation of Designer Drugs  

Yun, Jaesuk (Pharmaceutical Standardization and Testing Research Division, National Institute of Food and Drug Safety Evaluation, Ministry of Food and Drug Safety)
Publication Information
YAKHAK HOEJI / v.58, no.1, 2014 , pp. 53-57 More about this Journal
Abstract
In recent, the abuse of newly-emerging psychoactive drugs, ('designer drugs') is a rapidly increasing problem in Korean society. Quantitative-structure activity relationship (QSAR) is an alternative method to predict bioactivities of new abused compounds. In this study, cathinone-related new designer drugs, 4-methylbuphedrone and 4-methoxy-N,N-dimethylcathinone were tested for prediction of the bioactivity with QSAR model. The bioactivity of 4-methylbuphedrone and 4-methoxy-N,N-dimethylcathinone was similar to those of methylone. These results suggest that the prediction with QSAR model may provide scientific evidences for regulatory decision.
Keywords
designer drug; QSAR; bioactivity; regulation; addiction;
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