Concepedia

Discovery of potential and selective COX-1 inhibitory leads using pharmacophore modelling, in silico screening and in vitro evaluation

B. Bhaskar, Sivaram Hariharan, Darshit B. Shah

European Journal of Medicinal Chemistry · 2014 · 20 citations · 34 references

DOI

Concepts

References

34

Extra Precision Glide:  Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

Richard A. Friesner, Robert B. Murphy, Matthew P. Repasky et al. · Journal of Medicinal Chemistry · 2006 · 6.9K citations

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Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents

Ravi G. Kurumbail, Anna M. Stevens, James K. Gierse et al. · Nature · 1996 · 1.9K citations

, , +16

Benchmarking Sets for Molecular Docking

Niu Huang, Brian K. Shoichet, John J. Irwin · Journal of Medicinal Chemistry · 2006 · 1.3K citations · Full text

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PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

Steven L. Dixon, Alexander M. Smondyrev, Eric H. Knoll et al. · Journal of Computer-Aided Molecular Design · 2006 · 1.2K citations

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Prostaglandin synthase 1 gene disruption in mice reduces arachidonic acid-induced inflammation and indomethacin-induced gastric ulceration

Robert Langenbach, Scott G. Morham, Howard F. Tiano et al. · Cell · 1995 · 1.1K citations · Full text

, , +16