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Structure Based Drug Discovery

Overview

The WuXi AppTec Structural biology platform delivers customized and integrated solutions in drug discovery, X-ray crystallography, premium protein supply, biophysical analysis and fragment screening.

 

Capabilities at a Glance

  • High quality protein production
  • >10 Orthogonal biophysical assays and screening systems
  • >200 Targets ready for XPRESS complex structure solution with client ligands
  • Fragment-based screening with >3,000-member novel fragment library
  • Cryo-EM
  • Cell-based thermal shift assays (CETSA) for target engagement

 

Protein Production

Hit validation target proteins are produced with our highly parallelized expression and purification platform. We are continuously advancing innovations in protein expression to generate stringently controlled premium proteins for use in assays, screening, diagnostics or crystallization. Decades of accumulated protein expertise enable us to provide you with difficult to produce proteins like membrane proteins, large multi-subunit complexes, secreted proteins, or nuclear receptors, as well as metabolic enzymes, proteases, epigenetic proteins, phosphatases and kinases.

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X-ray Crystallography

To facilitate SAR analysis, screening hits are analyzed by X-ray crystallography in complex with their target protein. The structural information reveals the exact binding site and the binding mode of the small molecule ligands and provides valuable information to efficiently optimize affinity and selectivity in a medicinal chemistry program.

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CryoEM

Cryo-EM has rapidly advanced to a level where challenging targets such as membrane proteins, multi-protein complexes and antibobroad range of dy/antigen complexes, can be structurally characterized with sufficient resolution. Our unique protein expression systems combined with in-depth experience enable us to rapidly establish expression and purification conditions for these targets. Our broad range of biophysical protein characterization tools allow us to identify constructs and buffer conditions that yield highly stable and homogenous protein samples, that are uniquely suitable for obtaining high resolution data that is collected and processed with a number of experienced cryo-EM partners.

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Biophysical Assays and Screening

WuXi has established a number of biophysical and biochemical assays and methods which can be combined according to the needs of a specific project.  Our INTRACT platform comprises various methods for biophysical assays and screening in low to medium throughput. 

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FBDD – Fragment Screening

WuXi offers fast and cost-efficient hit identification by fragment screening or virtual high-throughput screening. We have several well-tended fragment libraries totaling more than 5,000 compounds. In addition, client libraries can easily be integrated in our workflow.

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Biopharmaceutical Assays

WuXi offers the highly accurate and robust characterization of protein stability by analyzing thermal unfolding, aggregation and chemical denaturation using nanoDSF technology – an advanced Differential Scanning Fluorometry (DSF) method.

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