Whilst early in vitro screening for absorption, distribution metabolism and elimination (ADME) properties has significantly transformed early drug screening in many companies, the corresponding ability to quickly, and reliably, predict pharmacokinetics (PK) from these data has lagged behind. In vivo human prediction still largely relies on scaling from animal in vivo PK data, precluding its use for mass PK screening in early discovery.
In this webinar our expert, Simon Thomas, outlines Cyprotex’s most recent work in the prediction of human PK from early ADME data. Combining ADME data with physicochemical and structural information within a novel physiologically based pharmacokinetic (PBPK) model, we have developed a service that returns a comprehensive array of reliable PK data and metrics: summary PK parameters and plasma concentrations are predicted for oral, intravenous bolus and intravenous infusion administration, whether single- or repeat-dose regimes. Generation of these predictions greatly enhances the value of the ADME data, and facilitates multiple options for directing compound progression: use of the predicted PK parameters enables compounds with desirable properties to be identified, whilst reliable plasma concentration prediction enables the implementation of pharmacokinetic/pharmacodynamic (PK/PD) modelling for early assessment of in vivo potential. High throughput and rapid turnaround maximally facilitate the make-test-analyse process.
Simon Thomas PhD
Head of Modelling and Simulation | Cyprotex
Dr Simon Thomas is the Head of Modelling and Simulation at Cyprotex where he is responsible for the development of mathematical models for predicting ADME properties, pharmacokinetics, toxicity and clinical efficacy. Simon studied chemistry at the University of Oxford, as a final year student writing his first computer models, on the emission of electrons via the photoelectric effect. He obtained his Ph.D. and carried out post-doctoral work in the nascent field of systems biology at Oxford Brookes University, modelling the regulation of biochemical pathways in plants and animals, particularly with respect to pathways of energy metabolism. He joined Cyprotex in 1999, initially leading the company’s modelling efforts in PK prediction, over time extending the company’s capabilities into prediction of toxicity and pharmacological activity.
Watch the webinar to learn more!