How do you study computationally protein-ligand interactions in orphan receptors(receptors with unidentified endogenous ligands) when experimentally ligand binding is proved?
Cat Chenal
I am no expert in ONR, but with a structure (xr, nmr), I would simulate binding with a probe (e.g. the common scaffold or hormones or opiates);
In case that receptor is specific to a cell type, the choice of probe may be reduced;
I would start with a reduced model consisting of regions D, E and F.
AutoDockVina is a popular docking program to do such tests.
0 votes
0 thanks
- Badges
- Science topic
More Prija Ponnan's questions See All
Similar questions and discussions