Patent ID: 6996473
Filing Date: 2006-02-07
Classification: A61P,G16B,G16C,Y02A

Abstract:
1. A method of screening a compound library or portion thereof by absorption, the method comprising: providing a computer-implemented pharmacokinetic tool comprising an input/output system and a physiological model of a mammalian system of interest; the model comprises a selected adjustment parameter and the selected adjustment parameter comprises a value obtained by: (i) assigning an initial value to the selected adjustment parameter; (ii) inputting first data for a plurality of compounds into the model and running the model to generate output data; (iii) comparing the output data with second data for the plurality of compounds; (iv) selecting a new value for the selected adjustment parameter such that deviation of the comparison in step (iii) is reduced; and (v) replacing the value of the selected adjustment parameter in the model with the new value selected in step (iv); providing in vitro permeability and solubility data for a plurality of test samples from the compound library or portion thereof to the computer-implemented pharmacokinetic tool; providing initial dose data to the computer-implemented pharmacokinetic tool; generating a predicted in viva absorption profile for each of the plurality of test samples with the computer-implemented pharmacokinetic tool; and based on the generated absorption profiles, producing a secondary compound library comprising compounds having a desired absorption profile, whereby the compound library or portion thereof is screened by absorption.