English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Due to inherent complexity active transport presents a landmark hurdle fororal absorption properties prediction. We present a novel approachcarrier-mediated drug absorption parameters calculation based on entirelydifferent paradigm than QSPR. We capitalize on recently emerged ideas thatmolecule activities against a large protein set can be used for prediction ofbiological effects and performed a large scale numerical docking of drug-likecompounds to a large diversified set of proteins. As a result we identified forthe first time a protein, binding to which correlates well with the intestinalpermeability of many actively absorbed compounds. Although the protein is not atransporter, we speculate that it has the binding site force field similar tothat of an important intestinal transporter. The observation helped us toimprove the passive absorption model by adding non-liner flux associated withthe transporting protein to obtain a quantitative model of active transport.This study demonstrates that binding data to a sufficiently representative setof proteins can serve as a basis for active absorption prediction for a givencompound.

From protein binding to pharmacokinetics: a novel approach to active drug absorption prediction