PK-Sim® Features

Characteristics of PK-Sim^® that make it a powerful tool for PBPK simulations

PK-Sim^® simulates the processes responsible for absorption, distribution, metabolism and excretion (ADME) of active compounds in the body. The features of the PK-Sim^® Clinical full version containing all available add-on modules include:

• Simulation of mammalian pharmacokinetics following single or multiple intravenous or oral administrations in various species (e.g. mouse, rat, mongrel dog, beagle, minipig, monkey, human)
• Full control over physiological properties: organ volumes and blood flow rates are pre-defined and can easily be adjusted
• Minimized requirements for compound specific input data: lipophilicity, plasma protein binding, molecular weight, solubility, pK_a-value(s), hepatic and renal clearances
• PBPK modeling and simulation of macromolecules, such as therapeutic proteins utilizing the newly developed two-pore model
• Generation of pH versus solubility tables
• Simulation of the dissolution dynamic of a solid particle formulation with predefined particle size distribution
• Physiology-based simulation of gastro-intestinal transit and absorption
• Accurate description of peripheral sampling
• Simulation of saturable active uptake and efflux processes as well as luminal degradation and gut wall metabolism
• Permeation limited distribution model
• Population database providing physiological information that mainly depend on age, gender and BMI for different races
• Species database providing physiological data for different animal models
• Definition of trial populations by age, gender and body size
• Scaling of anatomical parameters to body size
• Random interindividual variability predefined or user defined
• Minimum, mean and maximum concentration curves, concentration density plots
• Median and percentile curves
• Statistics of pharmacokinetic parameters
• Distribution plots for pharmacokinetic parameters
• Output of concentration-time curves and pharmacokinetic parameters (fraction absorbed, AUC, Vss) in each body organ (whole organ, interstitial, or intracellular concentration, total and unbound concentration)
• Databases for compound data (project specific and global)
• Project database for convenient management of simulation settings and results
• Import/Export functions for experimental and simulation data
• Convenient and intuitive graphical user interface
• Powerful graphical output of simulation results