Our proprietary technology and tools, including a high resolution molecular model of human skin, enables in silico modeling of potential membrane permeability enhancers and drug candidates. It allows scientists to rapidly and cost efficiently, by molecular dynamics simulation using computers, assess the membrane interaction properties and permeability coefficients of different compounds and permeability enhancers, rather than having to solely rely on traditional and tedious in vitro/ex vivo experiments on skin. Molecular dynamics simulation is proposed as the in silico method of choice for skin permeability calculations:
“Even though MD approaches tend to take many variables into account, rising therefore the chances of errors, they seem to be the next step towards experimentally-independent permeability prediction because of their ability to recreate a model of the skin environment. Furthermore, the improving calculation potency of computing machines is contributing to broaden the limits of this kind of approach.”
(Pecoraro et al., J. Chem. Inf. Model., 2019)
and was awarded the Nobel Prize in Chemistry 2013, with the motivation:
“… Today the computer is just as important a tool for chemists as the test tube. Simulations are so realistic that they predict the outcome of traditional experiments.”
(Nobel Prize in Chemistry 2013 – Press release)
Our own internal efforts are focused on a risk mitigated R&D approach for improving the clinical profile of existing and proven transdermal pharmaceuticals by reformulation.
We are also collaborating with the pharma industry to generate proof of concept experiments to show that our computer model for the lipid structure in stratum corneum and the assumptions relating to the molecular dynamics simulations are valid. Here we are working to demonstrate a high degree of correlation between permeability coefficients from experimental in vitro data of different molecules using human skin and the molecular dynamics simulations in silico regarding the penetration of these molecules through the skin.
We aim to work in close collaboration with pharma partners to develop a number of improved or novel transdermally acting pharmaceuticals with strong IP.
If you are interested in learning more about the possibilities ERCO Pharma’s novel proprietary transdermal technology and tools can offer your pharma or cosmetics company, please contact us at email@example.com.