De Novo Pharmaceuticals
De Novo launches Reflex, a major upgrade to its in silico drug design platform
19th September 2005
Cambridge, UK and California, USA - De Novo Pharmaceuticals, a world leader in computational drug design, has launched “Reflex”, a major upgrade to its world leading, in silico drug design platform, SkelGen®.
When designing small molecule candidate drugs, Reflex enables SkelGen to take into account the rotational flexibility of amino acids in the target enzyme active site. This advanced capability significantly enhances the platform’s versatility and performance.
SkelGen, De Novo’s automated drug design programme, can perform rotational changes “on-the-fly” whilst novel ligands are constructed within the target active site. The significant advantage of this development is that SkelGen can now explore the continuously changing shapes of the cavity within the active site of a target enzyme, more closely mimicking the dynamics of real-life protein-ligand interactions.
Bill Harris, Director of Drug Design at De Novo, commented: “The introduction of Reflex further secures De Novo’s position at the forefront of in silico drug design. The extension of our capabilities into the prediction of feasible receptor conformations and the simultaneous design of novel ligands for those alternate states means we are no longer constrained to the static structures provided by X-ray crystallography.”
Philip Dean, CEO of De Novo, added: “Our drug discovery partners are seeking rapid ways to find novel and active hit molecules for their protein targets and SkelGen has already proved it can deliver. The addition of Reflex to the platform is an important innovation that will keep us well ahead of the competition and enable us to provide higher quality designs for our customers.”

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