Exploring the novel heterocyclic derivatives as lead molecules for design and development of potent anticancer agents.

@article{Azad2018ExploringTN,
  title={Exploring the novel heterocyclic derivatives as lead molecules for design and development of potent anticancer agents.},
  author={Iqbal Azad and Malik Nasibullah and Tahmeena Khan and Firoj Hassan and Yusuf Akhter},
  journal={Journal of molecular graphics & modelling},
  year={2018},
  volume={81},
  pages={211-228}
}
This paper deals with in silico evaluation of newly proposed heterocyclic derivatives in search of potential anticancer activity. Best possible drug candidates have been proposed using a rational approach employing a pipeline of computational techniques namely MetaPrint2D prediction, molinspiration, cheminformatics, Osiris Data warrior, AutoDock and iGEMDOCK. Lazar toxicity prediction, AdmetSAR predictions, and targeted docking studies were also performed. 27 heterocyclic derivatives were… CONTINUE READING
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