Hit Characterization

Once a hit compound is identified from a high throughput screen, more deep characterization is needed for the compound to verify whether it has the value of lead optimization and ultimate clinical development. Creative Biolabs provides comprehensive hit characterization services for hit validation of drug discovery process thus to deal with data reproducibility crisis which is a big obstacle for drug research and development and may lead to failure and high risk of investment.

Figure 1. Characterization of hit compound 6E11 as new necroptosis inhibitor. (Delehouzé, C., et al., 2017)

Creative Biolabs provides hit characterization services from cheminformatics, biophysical characterization to SAR and QSAR models to help determine various physical, biological and chemical characters of the hits. In-depth characterization of hit compounds can help avoid the failure of drug candidate in clinical trials due to their poor synthetic tractability or pharmacological properties.

Creative Biolabs offers various hit characterization services, including but not limited to the following:

Cheminformatics

Cheminformatics, also known as cheminformatics, solves a series of problems in the field of chemistry using computer and informational techniques. These techniques can be used in the process of drug discovery. Cheminformatics, which focuses on extracting, processing and extrapolating meaningful data from chemical structures, can help make better decisions in the area of drug lead identification and optimization more quickly.

Cheminformatics is a powerful tool for drug discovery which is able to rectify complex issues occurred in traditional drug discovery system. Creative Biolabs provides comprehensive and high-quality cheminformatics service supported by our powerful resources. We aim to analyze, simulate, model, and manipulate chemical information and use such information for better drug discovery.

Biophysical Characterization

Correct configuration of a product's higher-order structure (HOS), such as secondary and tertiary structure, aggregation and oligomerization, is critical to ensure the correct functionality and stability of a compound. Creative Biolabs provides comprehensive biophysical characterization services to ensure the correct functionality and stability of a hit compound. Our services are based on several techniques including dynamic light scattering (DLS), X-ray crystallography, nuclear magnetic resonance (NMR) spectrometry, cryo-electron microscopy and mass spectrometry (MS). We will help you determine a specific biophysical characterization method according to your specific applications.

SAR and QSAR Models

The biological effects of hit compounds with known structures can often be predicted using data about other similar compounds because of the similarity of physical and biological properties. Structure-activity relationship (SAR) which explores the relationship between the chemical structure of a molecule and its biological activity can be used as a powerful tool in drug discovery to further characterizing existing compounds and assessing the potential health risks. Regarded as a special case of SAR, quantitative SAR (QSAR) model builds mathematical relationships between the chemical structure and the biological activity. Creative Biolabs provides tailored SAR and QSAR model building services to accelerate your drug discovery process.

Creative Biolabs has a dedicated assay development team that will work closely with you to design customized assays. Our service will meet your specific needs fast at extremely competitive prices. If you need more information, please feel free to contact us at anytime. We look forward to working with you to help your drug research and development project succeed.

Reference

1. Delehouzé, C., et al., 2017. 6E11, a highly selective inhibitor of Receptor-Interacting Protein Kinase 1, protects cells against cold hypoxia-reoxygenation injury. Scientific reports, 7(1), 12931.