ADC Payload Design Service
Payloads are an important part of the ADC design. The activity and physicochemical properties of the payload have a direct impact on the antitumor efficacy of ADC drugs. The mechanism of action of the payload is an important factor determining the performance of the ADC. CD ComputaBio offers payload design services based on the chemical nature of the payload and the specificities of the customer's project.
Introduction to ADC Payload and its Design
In ADCs, payloads are the active pharmaceutical ingredients. As such, they determine the overall efficacy of these therapeutics. As the safety and efficacy of linker chemistries continue to improve, so too does the diversity of payloads available to generate new ADCs. Computational design has become an indispensable tool for designing payloads. By leveraging advanced algorithms, molecular modeling, and machine learning techniques, it can predict how different payload structures will interact with target cells, ensuring high cytotoxicity against tumor cells.
Figure 1. ADC payload. (Yamazaki C M, et al., 2021)
Types of ADC Payload
Payloads are divided into three major categories: microtubule inhibitors, DNA damaging agents, and topoisomerase I inhibitors.
Microtubule inhibitors
Microtubule inhibitors are the payloads in ADCs that target microtubule dynamics in cancer cells to induce cell death. Inside the cell, linker cleavage releases microtubule inhibitors, which then act on the microtubule system within the tumor cell.
DNA damaging agents
ADCs combined with DNA-targeting agents, such as pyrrolobenzodiazepines (PBD) and calicheamicin, exert their cytotoxic effects by causing DNA damage, thereby impairing cell replication and leading to tumor cell death.
Topoisomerase I inhibitors
Topoisomerase I inhibitors, represented by SN-38 and delutec (Dxd), are important components of ADCs and exert their anti-tumor effects by interfering with DNA replication and inducing apoptosis.
Our Services
CD ComputaBio provides advanced algorithms and technology platforms for ADC payload design services. Our expert team has extensive experience in ADC drug design, and the services we provide include but are not limited to:
Tubulin Inhibitor Design Service
CD ComputaBio's tubulin inhibitor design service focuses on developing compounds that can effectively disrupt the microtubule network of target cells. Using advanced computational chemistry techniques, we design tubulin inhibitors with enhanced binding affinity to tubulin. We analyze the three-dimensional structure of tubulin and simulate the interactions of potential inhibitors at the atomic level.
DNA Damaging Agent Design Service
DNA damaging agent design service offered by CD ComputaBio aims to create compounds that can induce DNA damage in target cells and lead to cell death. We use computational algorithms to predict the interaction patterns of DNA Damaging Agents with different DNA sequences. By understanding how these agents bind and modify DNA, we can design more effective payloads.
Topoisomerase I Inhibitor Design Service
A combination of molecular modeling and virtual screening approaches can be used to identify potential topoisomerase I inhibitors. Our computational platform simulates the binding of inhibitors to the topoisomerase I active site, allowing us to optimize inhibitor structures for maximum inhibitory efficacy.
Advanced Methods
CD ComputaBio offers cutting-edge ADC payload design services, customized to fulfill the diverse requirements of our clients. These tailored approaches are engineered to effectively deal with a wide array of molecules relevant to different ADC drugs.
- Fragment-based Drug Design
- Structure-based Drug Design
- Ligand-based Drug Design
- AI-based Drug Design
With advanced simulation software, our team is committed to providing customers advanced ADC payload design support and services. CD ComputaBio provides high-quality ADC payload Design, including different types of payload designs. Our experienced chemists and computational experts use a range of techniques and algorithms to optimize ADC payload design. If you are interested in our services or have any questions, please feel free to contact us.
Reference:
- Yamazaki C M, Yamaguchi A, Anami Y, et al. Antibody-drug conjugates with dual payloads for combating breast tumor heterogeneity and drug resistance. Nature communications, 2021, 12(1): 3528.
* For Research Use Only.
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