Computational Design of a Bivalent Cytokine Receptors Antagonist

Milijaš-Jotić, M

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Computational Design of a Bivalent Cytokine Receptors Antagonist

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Milijaš-Jotić, M
Department Protein Evolution, Max Planck Institute for Biology Tübingen, Max Planck Society;

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https://www.europeanrosettacon.org/wp-content/uploads/2024/11/Rosetta-Conference-Booklet.pdf
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引用

Milijaš-Jotić, M. (2024). Computational Design of a Bivalent Cytokine Receptors Antagonist. Poster presented at European RosettaCon 2024: Knowledge Transfer for Modern Protein Modeling and Design, Copenhagen, Denmark.

引用: https://hdl.handle.net/21.11116/0000-0010-3995-6

要旨

Targeting multiple receptors with a single therapeutic agent can enhance treatment efficacy and overcome the limitations of monotherapy. We aimed to develop single-domain, bivalent blockers for IL-1RI and G-CSFR, two cytokine receptors implicated in several inflammatory and immune-related disorders. By combining receptor- binding fragments, we created single-domain proteins capable of forming stable receptor complexes. The designs were optimized using the Damietta protein design software for enhanced binding affinity and solubility, while molecular dynamics was employed to select the candidates for experimental testing. Preliminary results show that the constructs are soluble, thermostable, and bind both receptors with high affinity, offering a promising therapeutic strategy.