Hi, Our next Industry Talk is by Elena de Orbe from AstraZeneca on 24 September 2025 at 2pm UK time. Registration is free. Click here to register<https://ukri.zoom.us/webinar/register/WN_Yox-cOUKTyC1sKj2vH3COw>. Or visit www.ccpbiosim.ac.uk/az2025.<http://www.ccpbiosim.ac.uk/az2025.> Title: Design of antibody-drug conjugates with the aid of computational chemistry Abstract: Antibody-drug conjugates (ADCs) have emerged as a powerful modality of oncology therapeutics for targeted delivery since the first FDA-approval in 2000. ADCs comprise a small-molecule drug tethered to a monoclonal antibody via a synthetic linker, and thus enable the selective delivery of a highly cytotoxic payload to specific tumour cells expressing the target antigen. However, the design of ADCs with appropriate developability properties is still challenging. Here we have developed computational workflows to help to optimise key properties of these novel biologics. On one hand, we can now identify reactive amino acids on the antibody surface for site-specific conjugation of linker-payloads, leading to more homogenous and stable ADCs with improved physicochemical properties. On the other hand, we have investigated how to predict and minimise the ADC aggregation propensity, a well- known issue for the development of these macromolecules. Through modelling, we aim to accelerate the design of the next generation of ADCs with optimal properties for cancer patients. Best wishes, Sarah
######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
