ADC Drug Design Services

CD ComputaBio has in-depth communication with clients in the development of preclinical integrated study protocols for ADCs. The scientific backbone combines the characteristics of each case with years of practical experience and technical accumulation, and carefully submits quality experimental protocols and results to clients. With our expertise in computational biology and medicinal chemistry, we offer customized solutions for the design and optimization of antibody drug conjugates (ADCs) targeting specific cancer cells.


The three major components of ADC drugs are: 1) specific targeting antibodies, 2) toxins, and 3) cleavable/non-cleavable linkers. The development of ADC drugs has a high technical barrier, which requires a combination of factors such as the rational selection of targets, the rational combination of antibodies, linkers, small molecule drugs and the rational combination between them, the antibody coupling technology and the drug resistance of ADC drugs. Among them, target selection, linker selection, coupling technology and preclinical efficacy evaluation are the focus of attention in the ADC development process.

ADC Drug Design Services

Services Items

CD ComputaBio can provide services such as:

ADC Drug Design Services

Services Process

  • Target Selection: We assist in the selection of appropriate tumor targets that can be targeted by ADCs.
  • Antibody selection: We help determine the best antibody to target the selected tumor cell type.
  • Payload selection: We assist in the selection of the most appropriate cytotoxic payload based on mechanism of action and pharmacokinetic properties.
  • Linker design: We help clients select the most effective linker to connect the antibody to the payload.
  • Computational Modeling: We use advanced computational methods to predict the efficacy of the designed ADC prior to experimental validation.
  • Experimental Validation: We perform in vitro and in vivo experiments to validate the efficacy of the designed ADC.


  • Molecular Docking: We molecularly dock to predict the extent to which a potential ADC will bind to its target protein.
  • Molecular dynamics simulations: We use molecular dynamics simulations to study the interactions between proteins and ADCs.
  • Pharmacological modeling: We use pharmacological models to identify key features in target proteins that can be targeted by ADCs.
  • QSAR Modeling: We use quantitative structure-activity relationship (QSAR) models to predict the biological activity of designed ADCs.


  • Our computational modeling tools allow us to optimize the design of ADCs to improve efficacy against target cancer cells.
  • We prioritize the safety of patients receiving ADCs to ensure that the designed ADCs are safe and reduce adverse effects.

Why Choose Us?

At CD ComputaBio, with our expertise in computational biology and medicinal chemistry, we offer customized solutions for designing and optimizing ADCs that target specific cancer cells while minimizing toxicity to healthy tissue. Our ADC drug design services are supported by advanced computational methods, state-of-the-art modeling tools, and a team of experienced scientists who are dedicated to ensuring the success of your project.

* For Research Use Only.