The Transdermal Compartmental Absorption and Transit Module in MembranePlus

  • Allows the user to model in vitro penetration tests (IVPT) and in vitro release tests (IVRT) in static and flowthrough diffusion cells
  • Incorporate formulation characteristics and processes such as solubility, dissolution and precipitation, and vehicle and API evaporation
  • Model diverse topical formulations such as solutions, suspensions, and emulsion formulations
  • Model non-linear vehicle evaporation processes
  • Model permeation processes through the skin or synthetic membranes
  • Incorporate predicted, measured, and/or optimized permeability parameters
  • Model common types of skin samples: dermatomed skin, heat-separated epidermis, full thickness skin, stratum corneum alone for human, minipig, rat, and mouse skin samples
  • Use predicted parameters in GastroPlus for in vitro-in vivo extrapolation


Passive Transport Model Improvements

  • Removed the hard limit on count-based descriptors of 6 for calculation of membrane entry/exit rates. Originally the passive transport model entry and exit rates were only affected by count based descriptor values of up to 6 based on the training set.  Now, we allow users to use their own compound libraries with no cap on count-based descriptors to calculate membrane entry and exit rates.  This was requested to model larger compounds like cyclic peptides.
  • Addition of internal hydrogen bonds to lower the effect of HBAo. Many compounds like cyclic peptides may have many oxygen doners that decrease permeability.  However, the molecule can fold and form internal hydrogen bonds that reduce the overall polarity and increase permeability.  This is added to the membrane transport model.