Team
Services and Technologies
- Expression, production, and purification of recombinant proteins
- Development of assays for studying protein–protein or protein–ligand interactions
(TR-FRET, HTRF, Fluorescence, TSA, enzymatic assays) - Miniaturization and automation of assays in 384/1536-well plates
- High-throughput in vitro screening using acoustic technology
- High-throughput pharmacological screening in cellulo using 2D and 3D assays
(Cell Titer Glo, Alamar Blue, Luciferase, Caspase Glo, etc.) - Biophysical validation of hits (TSA, ITC, X-Ray)
- Chemo-informatics analysis of hit molecules
- SAR by catalog
- Molecular modeling, dynamics, and virtual screening
- Hit-to-lead optimization (ChemoDOTS)
- Development of covalent probes (CovaDOTS, CovaLink, CovaGrow, CovaProbe)
Resources
Equipment:
- ACCESS platform with robotic arm (Beckman)
- Echo650 acoustic transfer (Beckman)
- Certus Flex dispenser (nNano AG)
- Pherastar FS reader (BMG Labtech)
- CFX384 RT-PCR (Biorad)
- FPLC Akta Pure (Cytiva)
- Microcalorimeter ITC200 (Malvern)
- Cell culture and X-ray incubators
- ShortDundee pods (Roylan) for chemical library storage under nitrogen
Chemical Libraries:
- Fr-PPIChem: 10,314 compounds (PPI modulators)
- Prestwick & OpnMe: 1,520 + 165 repositioning molecules
- Fragments: 1,000 fragments
- HITCH: 110 BBB-crossing molecules
- METABO: 148 metabolic regulators
- TrGET: 42 leukemia-focused compounds
Software & Databases
Databases:
- 2P2IDB: protein–protein interaction modulators
- Fr-PPIChemDB: experimental screening data
- iscbmolDB: molecular entries
- ChemoDOTS: hit-to-lead optimization support
Software:
- Modeller, VMD, PyMOL, Charmm, Amber, NAMD
- ChemAxon, SeeSAR, LigandScout, RDKit, MOE
- PLANTS, DataWarrior, AlphaFold, Schrödinger Suite
Publications
Legal Mentions
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