Analysis and Prediction of Perfluorane Adsorption of Drugs on the Basis of the Physicochemical Properties of Ligands

Abstract

The relationships between drug affinity constant (Kag) for the particles of perfluorane nanoemulsion and physicochemical properties of ligands were studied by correlation and multiple regression analyses. The following parameters were applied: lipophilicity (LogP), molecular weight (MW), topological polar surface area (TPSA), the number of hydrogen donors (Don) and acceptors (Acc) in the formation of a hydrogen bonds, the number of rotating bonds (Rot), and drug molecule ionization constant (pKa). The Kaf — physicochemical properties relationships were found to be mainly nonlinear and to mostly show up in the lipophilicility parameter LogP of ligands. During the multiple regression analysis, a number of regression equations were derived, which described the relationship of the perfluorane affinity Kaf to the physicochemical properties of drugs and could predict this interaction for both existing and newly synthesized compounds.

Keywords

• perfluorane
• drugs
• binding
• prediction.