We provide services in hit finding targeting RNA. We use Nuclear Magnetic Resonance (NMR), machine learning (ML), cheminformatics and fragment based screening (FBS) to find small molecules targeting RNA.
We provide NMR services to understand ligand/RNA interaction and ligand/proteins interaction
list of services includes:
RNA sourcing
RNA target selection
RNA construct design and validation by NMR
Fragment screening 19F library
Fragment screening 1H library
Follow-up selection from archive (based on hits)
Test compounds for binding
Resonance assignment 2D TOCSY / NH
Binding site mapping
Kd determination, titration 2D TOCSY
feasibility study
INPHARMA pharmacophore mapping
(inlcude list of inter ligand NOEs
assignment ligand spectra and IL-NOEs)
INPHARMA docking mode
(include docking poses of ligands
ranking of the docking poses
simulation of INPHARMA spectra using relaxation
matrix calculations)
screening paramagnetic library
2nd-site screening (19F lib)
structural information, design linker
DG,DH, DS, Kd
Method development
DG,DH, DS per ligand