CD ComputaBio is a leading provider of PROTAC drug development services, leveraging cutting-edge computational technologies to design and optimize promising new drugs. Our expertise in molecular modeling, bioinformatics and data analysis allows us to develop highly selective and efficacious PROTACs that can address a wide range of diseases, including cancer, autoimmune diseases and neurodegenerative disorders.

Principle of PROTAC technology

PROTACs typically contain a ligand against a target protein of interest, a small molecule capable of recruiting an E3 ubiquitin ligase (E3 ligand), and a linker connecting the two ligands. PROTAC molecules ubiquitinate the target protein by linking it to the E3 ubiquitin ligase and degrade the target protein by the ubiquitin-proteasome system.

Figure 1. Principle of PROTAC technology. (Benowitz, A. B.,et al. 2021)

Services Items

• PROTAC molecular screening service
• PROTAC molecular dynamics service
• Synthesis Service of PROTAC
• PROTAC ternary system kinetics study service
• PROTAC molecular activity assay service
• PROTAC molecular design and synthesis services
• PROTAC molecular drug metabolism research services
• Computer-aided PROTAC molecular design services
• In vitro screening service for PROTAC-POI
• In vivo screening service for PROTAC-POI

Services Process

• Target Identification: We use a variety of computational approaches to identify novel targets for drug development, including protein-protein interactions (PPI), enzymes, and receptors. By analyzing biological pathways and networks, we can identify potential therapeutic targets that may have been overlooked by traditional approaches.
• Ligand Design: Our team of experts uses advanced molecular modeling techniques to design and optimize ligands to bind to identified targets with high specificity and affinity. Our ligand design strategies include structure-based, ligand-based and fragment-based approaches.
• PROTAC Design: We use our expertise in molecular modeling and bioinformatics to design and optimize PROTACs that induce degradation of target proteins. our PROTAC design strategies include computational screening, protein-ligand docking, and molecular dynamics simulations.
• In vitro and in vivo evaluations: We perform rigorous in vitro and in vivo evaluations of our PROTAC candidates to determine their selectivity, efficacy and safety. Our evaluation strategies include cell-based assays, animal models, and pharmacokinetic studies.

Advantages

• Compound Library Screening
• Customized PROTAC molecules
• Modular design of PROTAC molecules
• Activity Assays
• Structure determination
• Accurate and reproducible results

Features

• Expertise: CD ComputaBio has extensive expertise in molecular modeling, bioinformatics, and data analysis.
• Multiple Algorithms: Our d multiple algorithms and software tools are specifically designed to support PROTAC drug development, ensuring that we can provide solutions tailored to our customers' needs.
• Cost-effective: By leveraging computational technologies, we are able to reduce the time and cost of drug development, enabling our customers to bring their products to market faster and more efficiently.

Why Choose Us?

CD ComputaBio's PROTAC drug development services provide a powerful and cost-effective solution for the development of novel drugs that can treat a wide range of diseases. Our expert team uses advanced computational technologies to design and optimize ligands and PROTACs with high selectivity, efficacy and safety. computational technologies enable us to shorten drug development cycles and reduce costs, allowing our clients to bring products to market faster. Contact us to learn more about our PROTAC drug development services.

Reference:

1. Benowitz, A. B., Jones, K. L., & Harling, J. D. The therapeutic potential of PROTACs. Expert Opinion on Therapeutic Patents, 2021, 31(1), 1–24.