Concepedia

Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping

Christine M. Richardson, Claire L. Nunns, D.S. Williamson, Martin J. Parratt, P. Dokurno, Rob Howes, Jenifer Borgognoni, Martin J. Drysdale, Harry Finch, Roderick E. Hubbard,

Bioorganic & Medicinal Chemistry Letters · 2007 · 44 citations · 27 references

Open access

Concepts

Medicinal ChemistryDrug TargetHit IdentificationNatural SciencesMedicinePharmacologyRational Drug DesignMolecular BiologyPotent Cdk2 InhibitorLead IdentificationStructure-guided Lead ScopingNovel Binding ModeChemical BiologyMolecular DockingDrug Discovery

References

27

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 64.1K citations

Engineering, Visual Molecular Dynamics, Molecular Biology +5

The Protein Data Bank

Helen M. Berman · Nucleic Acids Research · 2000 · 38.9K citations

Biological Database, Biochemistry, Structural Bioinformatics +12

New Colorimetric Cytotoxicity Assay for Anticancer-Drug Screening

Philip Skehan, Ritsa Storeng, Dominic A. Scudiero et al. · JNCI Journal of the National Cancer Institute · 1990 · 9.7K citations

A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening

Susan L. McGovern, Emilia Caselli, Nikolaus Grigorieff et al. · Journal of Medicinal Chemistry · 2002 · 1K citations · Full text

Medicinal Chemistry, Virtual Screening, Bioorganic Chemistry +15

Exploiting Chemical Libraries, Structure, and Genomics in the Search for Kinase Inhibitors

Nathanael S. Gray, Lisa Wodicka, A.M.W.H. Thunnissen et al. · Science · 1998 · 806 citations · Full text