Numerical simulation to better select drugs before clinical trials

27 January 2020 par Isabelle Frapart
How to select drugs even 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