Structure-Based Virtual Screening for Defeating Drug Resistant Form of EGFR Protein.

@article{Sharifi2016StructureBasedVS,
  title={Structure-Based Virtual Screening for Defeating Drug Resistant Form of EGFR Protein.},
  author={Amirhossein Sharifi and Kowsar Bagherzadeh and Sahand Golestanian and Massoud Amanlou},
  journal={Combinatorial chemistry \& high throughput screening},
  year={2016},
  volume={19 3},
  pages={
          228-37
        }
}
Epidermal growth factor receptor (EGFR) is a tyrosine kinase with a key role in cell proliferation, death and differentiation. Mutations in EGFR, including substitution of Thr790 by methionine and Leu858 by arginine (T790M/L858R), lead to a lung cancer that is resistant against first generation inhibitors. In fact, second generation inhibitors were developed, but they proved to have had severe side effects because of the significant potency to suppress the wild type protein just as much. To… 
Structure-based pharmacophore design and virtual screening for novel potential inhibitors of epidermal growth factor receptor as an approach to breast cancer chemotherapy
TLDR
Structural-based pharmacophore modeling, molecular docking and molecular dynamics simulations were applied to identify potential hits, which exhibited good inhibition on the proliferation of MCF-7 breast cancer cell line and favorable binding interactions on EGFR-TK.

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