Computer Aided ADC Design Services

Antibody-drug conjugates (ADCs) have emerged as a key therapeutic agent, combining the specificity of antibodies with the cytotoxicity of drugs. CD ComputaBio provides comprehensive computer-aided ADC design services aimed at using ADC drugs for various applications. Our team of experienced scientists and bioinformaticians use the most advanced computational algorithms and advanced technologies to improve the specificity, affinity and efficacy of ADC drugs.

Introduction to ADC

Antibody-drug conjugates (ADCs) are a class of biopharmaceutical drugs intended as targeted therapies for the treatment of cancer. ADCs are complex molecules consisting of an antibody linked to a biologically active cytotoxic (anti-cancer) payload or drug. Antibody-drug conjugates are an example of bioconjugates and immunoconjugates.

Computational Design of ADC

Figure 1. The structure and characteristic of an ADC drug. (Joubert N, at al., 2022)

Computer-aided ADC design is an important part of new drug research and development. It is based on computational chemistry and uses computer simulation, calculation and prediction of the relationship between ADC drugs and receptor biomacromolecules to design and optimize lead compounds. Computer ADC-aided drug design generally includes steps such as active site analysis, database retrieval, and new drug design.

Our Services

A complete set of advanced computational tools can be provided for cutting-edge computer aided ADC design services to accelerate the drug design process. Our team of experts has extensive experience in this field, and the services we provide include but are not limited to:

ADC Target Prediction Service

A suite of advanced computational algorithms and machine learning models is used to provide ADC target prediction service. We analyze large biological datasets to predict the most promising targets for ADCs.

ADC Linker Design Service

Computational chemistry techniques can be used to design linkers with the desired chemical properties, such as solubility and cleavage kinetics. Our linker designs are tailored to the specific requirements of the antibody and payload.

ADC Payload Design Services

The payload is the cytotoxic agent in an ADC that ultimately kills the target cells. We use computational methods to optimize the structure of the payload, taking into account factors such as its mode of action, solubility, and toxicity. Our team can also explore new payload chemistries.

Target Based Drug Design Services

Target-based drug design is a key step in computer-aided ADC design services. ADC drugs need to accurately target cancer cells, and the accurate selection and design of targets are the key to determining their efficacy and safety. The target-based drug design services we provide include:

Advanced ADC Drug Design Methods

CD ComputaBio provides advanced ADC drug design methods to meet the various needs of our customers. These methods are designed to handle molecules with various ADC drugs:

Advantages

CD ComputaBio's can significantly reduce the cost and labor of the subsequent experiments. Computer aided drug design service is a personalized and customized innovative scientific research service. Each project needs to be evaluated before the corresponding analysis plan and price can be determined. If you are interested in our services or have any questions, please feel free to contact us.

Reference:

1. Joubert N, Beck A, Dumontet C, et al. Antibody–drug conjugates: The last decade. Pharmaceuticals, 2020, 13(9): 245.

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