Structure-based discovery of new small molecule inhibitors of low molecular weight protein tyrosine phosphatase

The application of a fully integrated and automated virtual screening method for identifying potential and novel inhibitors of bovine lmwPTP is described. The protocol makes extensive use of our recently introduced LINGO tools, which allow the extraction of the implicit chemical information present...

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Veröffentlicht in:	European journal of medicinal chemistry 2007-08, Vol.42 (8), p.1102-1108
Hauptverfasser:	Vidal, David, Blobel, Jascha, Pérez, Yolanda, Thormann, Michael, Pons, Miquel
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Analytical, structural and metabolic biochemistry Animals Binding, Competitive Biological and medical sciences Cattle Computer Simulation Docking Drug Design Enzyme Inhibitors - chemistry Enzymes and enzyme inhibitors Fundamental and applied biological sciences. Psychology Hydrolases LINGO lmwPTP Medical sciences Miscellaneous Molecular Weight MPA Pharmacology. Drug treatments Phosphatase inhibitors Protein Tyrosine Phosphatases - antagonists & inhibitors Structure-Activity Relationship Virtual screening
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