Integrated Drug Discovery Services

Our integrated drug discovery platform offers library screening and fragment-based drug discovery (FBDD) for any target with known three-dimensional structure. Our team has gathered extensive expertise in compound screening, computational chemistry and structure-based drug design. In collaboration with our in-house partner Red Glead Discovery we also offer expertise in lead optimization, biological characterization, medicinal chemistry and ADME.

The gene-to-drug program includes protein cloning, expression, purification, crystallization of target protein in complex with ligand and structure determination. Protein targets from SARomics Biostructures' FastLane™ off-the-shelf structure library, which includes almost 200 kinases, phosphatases, epigenetic targets and other proteins, provide substantial acceleration of the discovery project.

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The combination of our screening capabilities and proprietary fragment library with our expertise in structural biology and medicinal chemistry helps our clients to design the best strategy for their drug discovery project.

The methods of computational chemistry can be efficiently used to assist the drug discovery process. We offer to our customers services in docking, virtual screening, QSAR analysis, scaffold hopping, library design, etc.

The benefits of using structural information in drug discovery
Within our drug discovery program we use three-dimensional structural information to map ligand interaction with the protein binding site and to assess protein-ligand interaction energies. This energy may be used to sort the hits identified in docking and in in silico screening. In silico screening may be applied to reduce the number of compounds in libraries prior to compound screening. This may increase the number of positive hits and reduce time and costs normally associated with screening. The protein structure is also used in subsequent iterative steps of hit expansion, lead generation and lead optimization. Lead optimization provides more information on various features the the ligand binding site, such as possible local flexibilities, the positions of solvent molecules and the conformations of bound inhibitors.