Novo Silico for Smart Biodelivery…


Your situation: Many biologics, such as nutrients, catalysts, therapeutics or immune modulators, do not reach their target on their own. On the way to their target, they may be degraded or cause off-target effects or even toxicity. Natural and/or artificial biodelivery systems resolve such challenges by protecting the molecule, carrying it to its target, overcoming barriers, and releasing it safely at the right time and dose.

Smart natural biodelivery systems also include viruses! They are protein-based nanocapsids delivering DNA or RNA into target cells.

As the complexity of biologics design increases, the importance and sophistication of biodelivery increasing as well. Yet, creating suitable biodelivery solutions is time-consuming and costly, with a substantial experimental burden. Optimizing stability and release kinetics by trial and error in the wet lab, in particular, can be prohibitive.

Our Proposal: In silico technology allows rapid prototyping of molecule carriers, screening millions of candidate designs and securing suitable targeting, stability and biodistribution. In particular, in silico tools allow simulation of how molecules, carriers, biological environments and off-targets interact, before testing in the lab. This may allow more efficient, accurate and affordable biodelivery solutions.

Particular focus is given to prediction of…

  • …polymer carrier behavior and performance;
  • …cell membrane, protein and tissue interactions;
  • …drug release timing & dosing profiles;
  • …polymer networks changing properties and releasing, triggered by pH, temperature and/or enzymes smart hydrogels)
  • …clinically relevant outcomes, e.g. tumor penetration or nanoparticle clearance.

Such prediction is done before in vitro or in vivo testing is started.