Open AccessGuide to development of compound files for PBPK modeling in the Simcyp population‐based simulator
Author(s) -
Ezuruike Udoamaka,
Zhang Mian,
Pansari Amita,
De Sousa Mendes Mailys,
Pan Xian,
Neuhoff Sibylle,
Gardner Iain
Publication year - 2022
Publication title -
cpt: pharmacometrics and systems pharmacology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.53
H-Index - 37
ISSN - 2163-8306
DOI - 10.1002/psp4.12791
Subject(s) - physiologically based pharmacokinetic modelling , drug development , pharmacokinetics , computer science , population , pharmacology , simulation , drug , medicine , environmental health
The Simcyp Simulator is a software platform for population physiologically‐based pharmacokinetic (PBPK) modeling and simulation. It links in vitro data to in vivo absorption, distribution, metabolism, excretion and pharmacokinetic/pharmacodynamic outcomes to explore clinical scenarios and support drug development decisions, including regulatory submissions and drug labels. This tutorial describes the different input parameters required, as well as the considerations needed when developing a PBPK model within the Simulator, for a small molecule intended for oral administration. A case study showing the development and application of a PBPK model for ondansetron is herein used to aid the understanding of different PBPK model development concepts.