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Article Dans Une Revue Theoretical Chemistry Accounts: Theory, Computation, and Modeling Année : 2019

Labelling IL-18 with alkaloids: towards the use of cytokines as carrier molecules in chemotherapy

Résumé

Recent in vivo models demonstrated that immune checkpoint cancer therapy can be improved by injecting interleukine (IL)-18, a proinflammatory cy-tokine of the IL-1 family. Aiming to enhance the beneficial action of citokines in cancer treatments, we used here docking, non-covalent interaction analysis and molecular dynamics simulation to determine their ability for embedding alkaloid-based drugs. According to our simulations, three alkaloids with an-ticancer activity, e.g., paclitaxel, vincristine and vinorelbine, are efficiently retained in the central cavity of IL-18. The reported results pave a new synthetic route for designing novel bifunctional carrier-cargo systems with enhanced anticancer activity.
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Dates et versions

hal-02407860 , version 1 (12-12-2019)

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Fracisco J Martin-Martinez, Julia Contreras-García, Horacio Pérez-Sánchez, José P Cerón-Carrasco. Labelling IL-18 with alkaloids: towards the use of cytokines as carrier molecules in chemotherapy. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2019, 138 (8), ⟨10.1007/s00214-019-2483-5⟩. ⟨hal-02407860⟩
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