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IVIVE & PBPK Modelling

• Extrapolation of kinetics based on in vitro metabolism and physiological data
• GastroPlus software

In vitro to in vivo extrapolation (IVIVE) coupled with physiologically based pharmacokinetic (PBPK) modelling is an approach to quantitatively bridge in vitro and in vivo data and to explore the key mechanisms dictating the pharmacokinetics. PBPK models are constructed upon physiologic parameters of the model organism and preclinical ADME data of the study compound, such as physicochemical parameters and metabolism and permeation data. More advanced models can also use data from in vitro drug interaction and toxicology studies.

PBPK simulations in drug development can be used for lead optimisation and candidate evaluation, DDI potential prediction, in vivo PK prediction, etc., thus providing valuable insight to support decision making and design of in vivo studies in both animals and human. PBPK simulations have also gained acceptance at regulatory bodies such as FDA and EMA as part of IND and NDA submissions.