I am adding these comments in English thinking of the possible access by your supervisor in Cambridge, to monitor the 'past' of the project. Eventually you might invite him.
Polypharmacology. Idea that an 'approved' or active compound against a certain target could also be found (in the database) be active for another, (related or unrelated) target. If the compound already has a good Pharmaco-kinetic (toxicity) profile, then it will be easier and faster to get approval for another target for which it is active.
Thus, it will be VERY IMPORTANT to be able to access the AtlasCBS content from the viewpoint (or entry point) of the 'chemical matter', i.e. the Ligand. This could include, in the future, being able to find a compound via 'smiles strings' or even being able to draw a compound and dig into the database to find the activity against ALL possible targets.
I know this is a big jump, but we need to think about the future and THINK BIG!!
celeaz
commented
8 years ago
I am adding these comments in English thinking of the possible access by your supervisor in Cambridge, to monitor the 'past' of the project. Eventually you might invite him.
Polypharmacology. Idea that an 'approved' or active compound against a certain target could also be found (in the database) be active for another, (related or unrelated) target. If the compound already has a good Pharmaco-kinetic (toxicity) profile, then it will be easier and faster to get approval for another target for which it is active. Thus, it will be VERY IMPORTANT to be able to access the AtlasCBS content from the viewpoint (or entry point) of the 'chemical matter', i.e. the Ligand. This could include, in the future, being able to find a compound via 'smiles strings' or even being able to draw a compound and dig into the database to find the activity against ALL possible targets. I know this is a big jump, but we need to think about the future and THINK BIG!!