Computational Analysis of Multi-target Structure-Activity Relationships to Derive Preference Orders for Chemical Modifications toward Target Selectivity

For series of compounds with activity against multiple targets, the resulting multi‐target structure–activity relationships (mtSARs) are usually difficult to analyze. However, rationalizing mtSARs is of great importance for the development of compounds that are selective for one target over closely...

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Veröffentlicht in:	ChemMedChem 2010-06, Vol.5 (6), p.847-858
Hauptverfasser:	Wassermann, Anne Mai, Peltason, Lisa, Bajorath, Jürgen
Format:	Artikel
Sprache:	eng
Schlagworte:	analogue series Combinatorial Chemistry Techniques - methods Drug Design Kinetics pharmacophore features Protein Kinase Inhibitors - chemistry selectivity determinants Serine Proteinase Inhibitors - chemistry Structure-Activity Relationship structure-activity relationships substituent effects
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