CoMSIA and POM analyses of anti-malarial activity of synthetic prodiginines.

@article{Mahajan2012CoMSIAAP,
  title={CoMSIA and POM analyses of anti-malarial activity of synthetic prodiginines.},
  author={Devidas T. Mahajan and Vijay Hariram Masand and Komalsing N. Patil and Taibi ben Hadda and Rahul Dadaroji Jawarkar and Sumer D Thakur and Vesna Rastija},
  journal={Bioorganic & medicinal chemistry letters},
  year={2012},
  volume={22 14},
  pages={4827-35}
}
In present work, 53 synthetic prodiginines were selected to establish thriving CoMSIA (Comparative Molecular Similarity Indices Analysis) model to explore the structural features influencing their anti-malarial activity. POM (Petra/Osiris/Molinspiration) was carried out to get insight into requirements that can lead to the improvement of the activity of these molecules. The CoMSIA model, based on a combination of steric, electrostatic and H-bond acceptor/donor effects, is with R(2)(cv)=0.738… CONTINUE READING

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