Antitarget and ADME T Screening Using Pharmacophores

In the search for an optimal lead compound, not only activity on the desired target but also activity on other targets should be considered. Sometimes, multi-protein-targeting is desired, e.g., for multi-kinase inhibitors in the oncology field. However, also activity on side effect-related targets - so-called antitargets -is to be investigated. Compounds with no or very low affinity to proteins related to cardiovascular, cytotoxic, or metabolic effects are more likely to pass 

In recent publications, Klabunde et describe their efforts to generate 

A pharmacophore-based cytochrome P450 (P450) profiler was presented by Schuster et This parallel screening-based system includes models for 

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