3D-QSAR studies of farnesyltransferase inhibitors: a comparative molecular field analysis approach.

@article{Puntambekar20063DQSARSO,
  title={3D-QSAR studies of farnesyltransferase inhibitors: a comparative molecular field analysis approach.},
  author={Devendra Sharad Puntambekar and Rajani Giridhar and Mange Ram Yadav},
  journal={Bioorganic & medicinal chemistry letters},
  year={2006},
  volume={16 7},
  pages={
          1821-7
        }
}
3D-QSAR analysis has been performed on a series of previously synthesized benzonitrile derivatives, which were screened as farnesyltransferase inhibitors, using comparative molecular field analysis (CoMFA) with partial least-square fit to predict the steric and electrostatic molecular field interactions for the activity. The CoMFA study was carried out using a training set of 34 compounds. The predictive ability of the model developed was assessed using a test set of eight compounds (r(pred)(2… CONTINUE READING
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