Drug-like Density: A Method of Quantifying the "Bindability" of a Protein Target Based on a Very Large Set of Pockets and Drug-like Ligands from the Protein Data Bank

@article{Sheridan2010DruglikeDA,
  title={Drug-like Density: A Method of Quantifying the "Bindability" of a Protein Target Based on a Very Large Set of Pockets and Drug-like Ligands from the Protein Data Bank},
  author={Robert P. Sheridan and Vladimir N. Maiorov and M. Katharine Holloway and Wendy D. Cornell and Ying-Duo Gao},
  journal={Journal of chemical information and modeling},
  year={2010},
  volume={50 11},
  pages={2029-40}
}
One approach to estimating the "chemical tractability" of a candidate protein target where we know the atomic resolution structure is to examine the physical properties of potential binding sites. A number of other workers have addressed this issue. We characterize ~290,000 "pockets" from ~42,000 protein crystal structures in terms of a three parameter "pocket space": volume, buriedness, and hydrophobicity. A metric DLID (drug-like density) measures how likely a pocket is to bind a drug-like… CONTINUE READING

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References

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Showing 1-10 of 45 references

Drug target central.

Expert opinion on drug discovery • 2009

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