Integrated drug discovery at SARomics Biostructures

Integrated Drug Discovery Services: Hit Identification and Hit-to-Lead Optimization

OVERVIEW

Our integrated drug discovery and
structure-based drug design (SBDD) 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 discovery and drug design. In collaboration with our in-house partner Red Glead Discovery we offer expertise in drug development, including hit-to-lead compound optimization, assay development and biological characterization, medicinal chemistry and ADME.

The
gene-to-drug program includes protein cloning, expression, purification, crystallization of target proteins in complex with ligands and structure determination by X-ray crystallography. SARomics Biostructures' FastLane™ off-the-shelf gene-to-structure library, which contains almost 200 constructs, among which are kinases, phosphatases, epigenetic targets and other proteins, will provide substantial acceleration of your drug discovery project.

Proprietary fragment screening and insilco drug discovery

The combination of our proprietary WAC™ fragment screening method with our expertise in structure-based drug design and medicinal chemistry helps our clients to design the best strategy for the drug discovery project, see more

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

The benefits of using structural information in drug discovery

Within our drug discovery and drug design program we use three-dimensional structural information to map ligand interactions with the protein binding site and to assess protein-ligand interaction energies. This energy may be used at the hit-to-lead optimization stage to sort the hits identified in docking and in in silico screening.

In silico methods may also be applied to reduce the number of compounds in a compound library prior to screening. This may increase the relative percentage of positive hits and reduce time and costs normally associated with the hit-to-lead optimization phase. The protein structure is also used in subsequent iterative steps of hit expansion, lead generation and lead optimization.

The use of the protein-ligand complex three-dimensional structure in molecular modeling 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. All this information will contribute to substantial acceleration of the discovery process.