Numerical simulation to better select drugs before clinical trials

Chemists from the Institute of Organic and Analytical Chemistry (ICOA, CNRS / University of Orléans) and the Center for Molecular Biophysics (CBM, CNRS) propose a new in silico model, which describes the duration of interactions between a molecule and its biological target. Published in the Journal of Chemical Information and Modeling, this work has successfully predicted effects on a protein linked to certain cancers and helps to reduce doses and thus toxicity.

See the communication from the CNRS Institute for Chemistry

CBM researchers have created the first method for detecting non-covalent complexes of biomolecules by MALDI mass spectrometry based on liquid deposits

The success of this method relies on the use of nonvolatile liquid matrices, which avoids the passage through the solid phase conventionally used in MALDI and the denaturation of the non-covalent assemblies. By their increased viscosity, these matrices also have the advantage of better mimicking the cluttered environments of living organisms.
The reliability of this method has been shown for non-covalent protein protein and ligand protein systems. This new approach could be used for screening of therapeutic protein ligands and facilitating the analysis of membrane protein complexes by mass spectrometry.