Characterizing the TSPO structure and ligand binding mechanism.
The translocator protein is an important outer mitochondrial membrane protein that facilitates cholesterol transport, oxidative stress sensing, and apoptosis. We use nuclear magnetic resonance (NMR) spectroscopy, electron paramagnetic resonance (EPR) spectroscopy, and computational modeling to characterize the structure and ligand binding-induced conformational changes of the protein.
Computational modeling to shed light on metabotropic glutamate receptor (mGluRs) signaling.
We employ a variety of computational ligand docking and protein-protein docking methods in Rosetta to formulate hypotheses on how inter-domain signal transduction and receptor activation/inactivation function in mGluRs based on published structures.
Nanyang Technological University
- Tang D, Li J, Buck JR, Tantawy MN, Xia Y, Harp JM, Nickels ML, Meiler J, Manning HC. Evaluation of TSPO PET Ligands [(18)F]VUIIS1009A and [(18)F]VUIIS1009B: Tracers for Cancer Imaging. Molecular imaging and biology : MIB : the official publication of the Academy of Molecular Imaging. 2016 Nov 16. PMID: 27853987 [PubMed].
- Fischer AW, Heinze S, Putnam DK, Li B, Pino JC, Xia Y, Lopez CF, Meiler J. CASP11 - An Evaluation of a Modular BCL::Fold-Based Protein Structure Prediction Pipeline. PloS one. 11(4). e0152517. PMID: 27046050 [PubMed].