3D-QSAR study of 20 (S)-camptothecin analogs

@article{Lu20073DQSARSO,
  title={3D-QSAR study of 20 (S)-camptothecin analogs},
  author={Ai-jun Lu and Zhenshan Zhang and Mingyue Zheng and Hanjun Zou and Xiaomin Luo and Hua-liang Jiang},
  journal={Acta Pharmacologica Sinica},
  year={2007},
  volume={28},
  pages={307-314}
}
AbstractAim:To build up a quantitative structure-activity relationship (QSAR) model of 20 (S)-camptothecin (CPT) analogs for the prediction of the activity of new CPT analogs for drug design.Methods:A training set of 43 structurally diverse CPT analogs which were inhibitors of topoisomerase I were used to construct a quantitative structure–activity relationship model with a comparative molecular field analysis (CoMFA). The QSAR model was optimized using partial least squares (PLS) analysis. A… Expand
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