ADMET properties intestinal absorption

In vitro cell-based models have been developed to aid in the evaluation of ADMET properties of compounds to explore the influences of species differences. CaCo-2 cells, for example, constitute an immortalized line of heterogeneous human epithelial colorectal adenocarcinoma cells widely used to predict the absorption rates of candidate drug compounds across the intestinal epithelial cell barrier. Drug absorption rates are determined 21 days after CaCo-2 cell seeding to allow for monolayer formation and cell differentiation. 

Figure 17.1 Correlation of rank order for ADMET Risk and human intestinal absorption (H IA%). The ADMET Risk score ranged from 0 to 5, with 5 being compounds with the greatest risk of having poor ADMET properties. Within a single ADMET Risk number, the compounds were ranked according to ascending estimated human jejunal permeability (ADMET Predictor, Simulations Plus, Inc.). Spearman rank correlation coefficient was 0.7 (pcO.OOl).

It is a commercial website used to compute 2,000 descriptors including absorption, distribution, metabolism, elimination and toxicity (ADMET)-relevant properties like caco-2 cell permeabihty, blood-brain barrier, human intestinal absorption, etc. [56]. It also comes with a drawing tool and libraiy builder. 

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