Exploring the role of different drug transport routes in permeability screening.

摘要: The influence of different drug transport routes in intestinal permeability screening assays was studied. Three experimental models were compared:  the small-intestine-like 2/4/A1 cell model, which has a leaky paracellular pathway, Caco-2 tighter and artificial hexadecane membranes (HDMs), exclusively model passive transcellular pathway. investigated regarding their ability to divide passively actively transported compounds into two classes rank according human absorption. In silico based on two-dimensional (2D) three-dimensional (3D) molecular descriptors also developed validated using external test sets. cell-based classified 80% acceptably absorbed (FA ≥ 30%) correctly, compared 60% correct classifications HDM model. best compound ranking obtained with (rs = 0.74; rs 0.95 after removing...