Molecular design and cOmputational Strategies for Advanced osteosarcoma therapy using biomImetic apatites and drug delivery (MOSAIC)

id="offer-description" class="ecl-u-type-heading-2 ecl-u-mt-none ecl-u-mb-l">Offer Description Osteosarcomas are bone tumours, primarily affecting children and adolescents, displaying a high risk of metastasis. Moreover, the 5-year survival rate is less than 25%, and high recurrence rates are observed. The clinical treatment combining surgery and chemotherapy faces two major problems: high doses of anticancer agents lead to severe side effects, which may be delayed, and the resistance of tumour cells to treatments is increasing. Through specific computational studies, i.e. by using molecular dynamics and quantum calculations in the framework of DFT, we propose to investigate two alternatives to these problems: (i) a new route of treatment administration with vectorization using biomimetic synthetic apatites for local delivery in the bone of active molecules already used for osteosarcomas treatments, and (ii) a way to overcome resistance to anticancer agents by chemically modifying drug molecules and increasing their effectiveness. Overall, this will reduce the patient's drug doses. Thanks to computational simulations, biomimetic apatites for vectorization of anticancer agents or their model molecules will be studied in relation to delivery properties. In parallel, the mechanism of action (MoA) of these molecules will be studied at the molecular level to propose and validate modified anticancer agents. In a last step, classical molecular dynamics calculations will produce a ne