Published in Arterial’naya Gipertenziya (Arterial Hypertension)
CDC25 phosphatases play a crucial role in cell cycle regulation. They have been found to be over‐expressed in various human tumours and to be valuable targets for cancer treatment. Here, we report the first model of binding of the most potent CDC25 inhibitor to date, the bis‐quinone IRC‐083864, into CDC25B obtained by combining molecular modeling a...
Pharmacogenomics of the cytochrome P450 2C family: impacts of amino acid variations on drug metabolism
Published in Drug Discovery Today
Pharmacogenomics investigates DNA and RNA variations in the human genome related to drug responses. Cytochrome P450 (CYP) is a supergene family of drug-metabolizing enzymes responsible for the metabolism of approximately 90% of human drugs. Among the major CYP isoforms, the CYP2C subfamily is of clinical significance because it metabolizes approxim...
A rational free energy-based approach to understanding and targeting disease-causing missense mutations.
This observation is used to demonstrate, computationally and experimentally, that a particular condition, Snyder-Robinson syndrome caused by the G56S spermine synthase mutation, might be ameliorated by small molecule binding.
Responsable de l'équipe
Virtual screening and rational design of protein-protein interaction modulators; Molécules Thérapeuthiques in Silico; UFR Sciences du Vivant