Najmanovich Research Group

Department of Pharmacology and Physiology - Université de Montréal

 
 

Our research traverses from genomes to small molecules integrating systems, structural and computational pharmacology as well as chemo- and bioinformatics. Our work is divided into four interconnected but independent axes within which we combine the development and use of innovative computational methods with experimentally validation. Namely: 1. The reconstruction and simulation of metabolic networks including the detection of potential therapeutic targets and cross-reactivity targets and evaluation of their effect within a cellular context. 2. The detection of binding-site structural similarities to detect potential cross-reactivity or polypharmacology targets across protein families, drug repurposing opportunities, understanding side-effects of drugs and the prediction of protein function; 3. Simulation of dynamic aspects of protein function, structural modelling of conformational ensembles and the prediction of the effect of mutations on stability based on their effect on dynamics and activity with applications to protein engineering; and 4. The development of docking algorithms to identify small-molecule modulators (inhibitors, agonists, etc) that may serve as lead compounds in drug development through virtual screening and structure-aided drug design. All methods in the four axes are developed in our group. We are currently applying this research to study molecular recognition and drug design in the development of new antibiotics against C. difficile, inhibitors against Type II Transmembrane Serine Proteases, the detection and validation of targets in Type 2 diabetes, biased signalling in GPCRs as well as kinases implicated in triple negative breast cancer. Please read more here.

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