Qubist Molecular Design

Who is Qubist Molecular Design (QMD)?
QMD is our in-house, proprietary, computational chemistry group. QMD is the coalescence of computational chemistry and fragment based drug design with uniquely skilled scientists.

What is fragment based drug design?
Fragment based drug design is a leap forward over structure-based drug design that can accelerate the discovery of high quality hits. FBDD uses drug fragments rather than whole molecules, avoiding the steric inhibition of the scaffolds. Fragments are typically biased towards those structures that appear repeatedly in drugs and have ‘lead-like’ properties, facilitating hit/lead identification.

What QMD can do for you?
We own proprietary computational chemistry technology utilizing cutting-edge quantum mechanical calculations. Combined with insightful target based docking, we can launch virtual ("in silico") screening campaigns against known targets, identifying large numbers of high quality hits for subsequent synthesis and testing or for adding to our kinase and scaffold library. For client projects, the QMD service is available on a project basis.

Why is QMD a world-leading technology?
Others offer computational chemistry and even fragment based drug design and screening, but the incorporation of quantum mechanical approaches requires proprietary software, high level programming capabilities and massive computing power. We have all of these. Through our relationship with Monash University we have access to a Supercomputer that gives us the equivalent of more than 200 high powered computers to run the QM calculations. Combine this with our target docking knowledge and insights and QMD is a potential powerhouse of drug discovery for our clients.

For more information contact us Dr John Feutrill at: john.feutrill@synmedchem.com