Membrane proteins are constantly interacting with their environment. Small molecules can interact with and affect these proteins in various ways, which can alter the conformational states or the kinetics of the protein. Not only the protein, small molecules also alter the dynamics of membrane. Currently, we are studying the mechanism of interaction of various drugs with voltage gated sodium channels, which are drug targets for cardiac and neural disorders. We characterize these interactions using tools such as molecular docking and molecular dynamics simulations of the interaction between protein and small molecule. Experimental studies such as mutagenesis and electrophysiology are useful to combine with these computational studies. Collaborators on this topic include Fredrik Elinder, from Linköping University, Mohamed-Yassine Amarouche from University Sidi Mohamed Ben Abdellah of Fez and Peter Ruben from Simon Fraser University, Canada.
Biophysical Characterization of Epigallocatechin-3-Gallate Effect on the Cardiac Sodium Channel Nav1.5 M-Y Amarouch, H Kurt, L Delemotte and H Abriel, Molecules, 25 (4), 902
Understanding TRPV1 activation by ligands: Insights from the binding modes of capsaicin and resiniferatoxin K Elokely, P Velisetty, L Delemotte, E Palovcak, ML Klein, T Rohacs, … Proceedings of the National Academy of Sciences 113 (2), E137-E145
Characterization of the honeybee AmNav1 channel and tools to assess the toxicity of insecticides P Gosselin-Badaroudine, A Moreau, L Delemotte, T Cens, C Collet, … Scientific reports 5
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