Characterisation of the Molecular Mechanism of Permeation of the Prodrug Me-5ALA across the Human Using Molecular Dynamics Simulations.

The barrier imposed by the outer layer of the skin, the , creates an almost impermeable environment for exogenous substances. Few lipophilic drugs with low molecular mass can passively diffuse through this layer, highlighting the need to develop methods to enable the delivery of more drugs via the transdermal route. The prodrug approach involves modifying the structure of a drug molecule to enhance its permeability across the skin, but it is often difficult to predict how exactly changes in chemical structure affect permeation.