| Popis: |
Large scale analysis of structure–activity relationships and screening data is enabling the emergence of chemogenomics approaches to understanding the relationships between chemical space and biological target space. Here, we present several example of how chemogenomics is enabling drug discovery by elucidating the relationship between the physico-chemical properties of molecular binding sites and ligands. A survey of the known landscape of proteins expressed from the human genome, for which leads have been discovered or by orthology are predicted to be druggable, present the pallet of drug targets for medicinal chemists. From this survey significant differences in the physical properties of ligands for different gene families are observed, with the ligands of several gene families are far from drug-like property space. |
