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Structure-Based Drug Design

Our structure-based drug design (SBDD) services are supported by medicinal chemistry, computer-aided drug design (CADD), and protein production services. Our structural biology experts, with proven experience in biophysical characterization, X-ray structure determination, and in silico docking analysis, have determined more than 250 high-resolution crystal structures of a variety of targets, advancing drug discovery and development efforts for our clients.

Cayman Chemical

Biophysical Characterization

Biophysical characterization includes thermal shift assays (TSA), surface plasmon resonance (SPR), and dynamic light scattering (DLS).
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SPR Binding Analysis

SPR is performed using the Biacore™ 8K for structure-function analysis, screening, and characterization of drug candidates, including proteins, peptides, and small molecules. We can screen and rank order protein-protein and drug-protein interactions, measure interaction kinetics and affinity, and determine interactant concentrations in samples.
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Automated Protein Crystallization

Robust, automated protein crystal screening and optimization are performed in a temperature-controlled environment using the mosquito® LCP robot. Our process allows automated imaging at 4°C and 20°C. Cayman has established protocols for robotic LCP drop setting for membrane protein crystallization as well.

Structure Determination by X-Ray Crystallography and Cryo-EM

Macromolecular and protein-complex structures are solved using X-ray data collection via access to three beamlines at LS-CAT 21-ID, APS, Argonne National Laboratory, as well as four beamlines at Diamond Light Source.

For larger proteins and target complexes that are intrinsically difficult to crystallize, we offer single particle analysis (SPA) coupled with cryo-EM through our partnership with NanoImaging Services. This partnership also enables structure determination of targets smaller than 1,000 Da using microcrystal electron diffraction (MicroED).

In Silico Drug Design/CADD

Supported by expertise in medicinal chemistry and machine learning combined with the Schrödinger suite of software, a computational platform used to accelerate drug discovery, our CADD program can perform homology modeling even if no target structure is available. Our multidisciplinary approach provides in silico docking analysis and identification of protein binding sites, as well as key protein-, drug-, and ligand-protein interactions, identifies hits, and guides lead optimization.

Instrumentation

Biacore™ 8K

This high-throughput, high-sensitivity SPR system delivers high-quality binding data for interaction analysis allowing ranking, kinetics, affinity, epitope binding, concentration, and relative potency. It enables efficient screening, characterization, process optimization, and quality control of small molecules and biotherapeutics.

Stunner by Unchained Labs

Stunner is the only system that pulls together UV/Vis concentration, dynamic light scattering (DLS) and static light scattering (SLS) data from the same 2 µL sample.

Pricing

For more information about our SBDD services and project-specific pricing, please submit the “Contact Us” form.

Related Services

Medicinal Chemistry

Cayman provides comprehensive medicinal chemistry services to empower your drug discovery efforts. Our medicinal chemistry and structural biology experts can perform hit identification and virtual high-throughput screening of more than 12 million compounds backed by expertise in Schrödinger suite, as well as hit-to-lead optimization and process scaling.

Recombinant Protein Production

Protein production services include construct design, expression optimization (mammalian, bacterial, and insect cell systems), purification, characterization, and scale-up. Choose from a selection of expression-ready constructs or have our team develop one specific to your project.

Chemical Synthesis

We offer a number of chemical synthesis services to support your drug discovery projects, including complex, multi-step organic syntheses, small molecule analog synthesis/SAR, parallel medicinal chemistry, and compound library generation, and lipid nanoparticle development.

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About Our Partners

NanoImaging Services, Inc. provides TEM, cryo-EM, and MicroED services to the industrial life science market. Their state-of-the-art facilities include a range of electron microscopes, sample preparation equipment, and computational infrastructure to support structural biology, nanoparticle characterization, and chemistry workflows.