QSAR Analysis of the Inhibition of Recombinant CYP 3A4 Activity by Structurally Diverse Compounds Using a Genetic Algorithm-Combined Partial Least Squares Method

@article{Wanchana2003QSARAO,
  title={QSAR Analysis of the Inhibition of Recombinant CYP 3A4 Activity by Structurally Diverse Compounds Using a Genetic Algorithm-Combined Partial Least Squares Method},
  author={Suchada Wanchana and Fumiyoshi Yamashita and Mitsuru Hashida},
  journal={Pharmaceutical Research},
  year={2003},
  volume={20},
  pages={1401-1408}
}
Purpose. To develop a quantitative structure/activity relationship (QSAR) model for predicting drug-CYP 3A4 interactions. Method. The inhibitory effect of 53 structurally diverse drugs on the metabolism of 7-benzyloxy-4-trifluoromethyl coumarin (BFC) by recombinant CYP 3A4 was evaluated using a rapid microtiter plate assay. For each drug, a total of 220 two-dimensional topological indices were calculated using Molconn-Z software. Using a genetic algorithm-based partial least squares (GA-PLS… CONTINUE READING
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