Prosarix can screen your structure with a library of >8M commercially available compounds using its ProtoScreen™ software. Compounds are ranked initially by predicted ProtoScore™ affinity and can be further ranked by dynamics based approaches. The process results in a list of diverse compounds (usually 50-100) available to purchase. Read about case studies and more on the underlying technology.
In addition to the full catalogue screening service Prosarix offer a fragment screening service against a protein structure or using a ligand-based approach (ProtoShapeES™). This service screens a set of 270,000 commercially available fragments which strictly adhere to the Astex rule of 3. The screen results in a limited set of diverse fragments for testing.
Prosarix has specific expertise in the screening of GPCR models to identify novel inhibitors or agonists. Prosarix's Origami® (originally developed by 14TM) approach generates structural GPCR models based on 'active' or 'inactive' model constraints which are optimised by dynamics based procedures in explicit solvent models. The models provide the basis to understand the basis of either agonist of antagonist binding and have led to the identification of novel compounds against many targets. See our case studies.
Prosarix offer a service to identify inhibitors of protein-protein interactions using ProtoScreen™ technology and modified scoring functions to compensate for the solvation shielding effects present in shallow cavity binding paradigms. See our case studies.
Prosarix offer a ligand-based design service enabling the screening of >8M commercial compounds wither using pharmacophore or ProtoShapeES™ approaches. See our case studies.
Key aspects or this service include:
Prosarix can provide rapid, cost effective drug design solutions for your drug discovery project/programs.
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