The Key FinderTM Concept
Key FinderTM is our new product and drug discovery service developed by Key Organics and Prosarix. These ‘ready to run’ virtual libraries, with follow-on synthesis combine a number of advantageous features:
- Novel and large drug-like chemistry space designed for a specific target family
- Library designs based on in-house reagents and templates, enables rapid synthesis
- Virtual screen of library against client’s requested pharmacology profile
- Design and synthesis of compounds delivered to client
- Provides unique service capability for target class - bespoke design and chemistry
Library design is based on state of the art modelling capabilities:
- Using target structure and related family homology models
- Designed to be broad enough to be relevant for different receptor subtypes;
- Final novel chemotypes selected based on predicted receptor affnity from a large panel; and
- Many novel chemotypes (~10) in a final target class library.
New Key FinderTM Offerings:
Our first offering is a sphingosine-1-phosphate receptor (S1Px) library that consists of >800K enumerated compounds utilising >10 different chemotype cores. For the S1Px library, S1P2-5 receptor models were constructed, based on the S1P1 structure, and have been validated by the docking performance of known modulators before being used to screen prospective chemotypes as fragments across the subtypes (agonist and antagonist forms). High scoring novel chemotypes have then been decorated in virtual library schemes with available reagents in-house from Key Organics. For more information please see the infomartion sheet here, email us at email@example.com or give us a call.
Our second offering will be a Kinase library and will combine state of the art virtual library construction, virtual screening and follow-on ‘in house’ synthesis for client targets.
Our approach offers several unique selling points:
- Our chemical space is significantly greater (i.e. > 1000x larger) than currently available focused libraries
- Designed chemical space has been validated against kinome inhibitor binding modes (e.g. DFG-out vs DFG-in targets)
- Includes novel and known hinge binding groups and other chemistries
- We design in clients required selectivity during the structure based screening processes
- ALL library reagents are in house, therefore rapidly implemented
- Seamless transition from LI to LO phase because chemistry and in silico design has been worked through at hit stage
Prosarix is a privately-owned biotechnology company based in Cambridge, UK. The Company develops computational approaches and products to assist pharmaceutical and biotechnology companies in the drug discovery process. Prosarix developed ProtoDiscovery™, a validated, state-of-the-art computational platform with which it is pioneering novel approaches for the identification and optimisation of small molecules. Further information can be found at http://www.prosarix.com