Rational design of multitarget chemical structures
Complex diseases such as cancer and neurological disorders have multifactorial nature․ The treatment of such diseases may strongly benefit from multitarget drugs that are able to modulate multiple biological targets simultaneously. In contrast to combination therapy, multi-target drugs are expected to have a more predictable pharmacokinetic profile, no drug-drug interactions and negative synergistic effects.
The Denovo Platform is the only RL-based technology that can perform target-driven design of chemical structures by accounting for multiple different binding pockets. Our platform can be used to develop multitarget small molecules with merged pharmacophores required for the interaction with multiple proteins.
The uniqueness of Denovo PlatformTM is its ability to generate drug candidates against any type of target, whether it is a protein or nucleic acid.
Through a combination of our platform and sophisticated molecular simulations, it is possible to design the best chemical structures that simultaneously address multiple essential pre-clinical conditions, thereby solving the multiparameter optimization problem in Pharma.