The knowledge of the 3D structures of proteins and drug candidates has the potential to accelerate drug discovery. Today, we have wide access to protein structures by X-ray, NMR and theoretical methods.
The combination of structural knowledge of the biological targets and advanced computational structural molecular modelling methodologies, we can enhanced not only lead optimization and target identification, but also the development of highly focused libraries for hit and lead discovery processes.
Hit and Lead Discovery
Hit identification is an expensive and resource intensive step in drug development. This process is also usually based on a trial-and-error approach against poorly characterized targets and high attrition rates.
We can optimize the discovery of new Hits and Lead compounds towards our client's target. We are able to perform a virtual screening of chemical compounds using an innovative proprietary drug screening platform.
The outcome of our screening process is a highly focused of diverse lead candidates with predicted high potency towards the biological target. With our hit and lead discovery service you will reduce costly and resource intensive resources. Furthermore, you will have a structure-based insight of you target and lead candidates to guide your next medicinal chemistry options.
Lead Development
For you lead development projects, we offer structure-based lead compounds derived from previously identified ligands. We focus our structure-based design on increasing potency, selectivity, ADMET and patent issue matters. Using our structure-guided design approach, your medicinal chemists will have a solid structural support to decide the purchase or synthesize novel compounds that could be your next drug candidate molecule.
Target and Drug candidate Characterization
In the early stages of your drug discovery projects, we offer homology modelling services to derive 3D structures from protein sequence and, structural characterization services that will provide valuable structural, dynamic and conformational information of the target binding site. This unique structural information will accelerate your drug discovery process right from the beginning.
At latter stages of the drug discovery process, the precise knowledge of the binding mode of the drug candidates towards your biological target is extremely important to strength and support the following clinical trial steps.
