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| - Contribution of Ionization and Lipophilicity to Drug Binding to Albumin: A Preliminary Step toward Biodistribution Prediction
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| - Understanding the molecular mechanisms governing albumin binding is a major challenge inabsorption−distribution−metabolism−excretion prediction. To gain insight into this complexfield, an ultracentrifugation method to measure the drug fraction bound to bovine serumalbumin [%B(DAB)] is presented. The second part of the study shows the dependence ofthe experimental binding parameter on ionization and lipophilicity descriptors (pKa and logDoct7.4 for a series of 14 structurally diverse drugs. Finally, a docking strategy is used torationalize the findings; the results confirm the mostly nonspecific nature of the interaction ofalbumin with neutral ligands.
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