Generating comprehensive knowledge about the target of interest, using target evaluation at an early in the drug discovery process helps develop a data-driven, focused approach to your discovery program.
We think of this step as a data intelligence foundation; the more you understand about your target, the more likely you are to design better compounds, quicker.
We apply a range of computational techniques to help you leverage the target evaluation:
- Binding site identification and druggability assessment
- Assessment of protein-protein interfaces
- Multiple sequence alignment
- Selectivity assessment
- Homology modelling for the targets where no structural information is available
- Analysis of water molecules and structural water networks
- Prior-art analysis to determine the novelty of the ideas
Druggability refers to the likelihood or potential of a target molecule (such as a protein or enzyme) to be modulated or targeted by a small molecule drug. It assesses the feasibility of designing a drug that can bind to the target molecule and exert a therapeutic effect.
Ligandability, on the other hand, refers to the ability of a target molecule to bind to a small molecule ligand. It assesses the propensity of a target to interact with a ligand molecule and form a stable complex
Find out how Charnwood Discovery can support your drug discovery program.