The MembranePlus™ Optimization Module
The Optimization Module for MembranePlus extends and enhances the program’s basic capabilities in several important ways. It uses a powerful direct search optimization algorithm to minimize an objective function (error function) that you specify within the MembranePlus framework. In simple terms, the optimizer adjusts your selected set of model parameters in order to minimize the difference between predicted and observed values of the drug concentrations from your in vitro permeability or hepatocytes studies.
Using your measured concentration vs. time data, fit parameters to build more robust models (e.g., nonlinear kinetics) and “learn” from your chemical series. Or, apply the feature to help design your in vitro permeability (Caco-2, PAMPA, MDCK) or hepatocyte experiment – based on your compound’s properties, how long do you need to run the experiment? At what pH? Or what shaking rate?
Resources
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Application of Cellular Permeability Simulation and PBPK Models to Capture Significance of Transporter Effects on Dose Linearity
Watch the webinar!In this GastroPlus™ User Group webinar, we will discuss the validation of passive permeability estimates in MembranePlus for a library of diverse compounds and describe the application of MembranePlus to fit intracellular efflux transporter affinity (Km) for GastroPlus™ PBPK models.
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MembranePlus™: A Tool to Study in vitro/in vivo Transport and Lysosomal Trapping
Download the poster!To develop a mechanistic mathematical model for analysis of in vitro permeability assays that accounts for all mechanisms contributing to observed apparent permeability: passive paracellular and…
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MembranePlus™: a tool to study in vitro/in vivo transport and drug-drug interaction
Download the poster!MembranePlus (Simulations Plus, Inc.) was used to analyze the concentration-time profiles in donor and receiver compartments after apical and basolateral administration of 50 μg/mL (81.5 μM) indinavir alone...