The aim of this STSM is the validation of the selected target (calpain) and the identification of novel compounds that will be tested for their antiparasitic potential (Leishmania spp.). Along with computational bioinformatic approaches, MS proteomic analysis is a powerful way to find biological pathways and, by extension, proteins that are involved in certain conditions to find new druggable targets. These approaches can also help in finding molecules that can overcome drug resistance in parasitic diseases. Based on these assumptions, our group has investigated how this new target could be used to do structure-based virtual screening (SBVS) to find new hit compounds that might be able to treat leishmaniasis. Currently, the lack of an x-ray crystal structure of calpain requires the construction of a homology model of the protein. Validation of the model will then be performed, and the active site will be analyzed and employed for a structure-based virtual screening. Finally, the newly identified compounds will be obtained (purchased or synthesized) and tested in vitro against Leishmania spp. The goal is to identify potential drug candidates that can inhibit calpain and potentially serve as new
treatments for leishmaniasis. Once the compounds are tested in vitro, further studies will be conducted to evaluate their efficacy, selectivity, and safety.
COST (European Cooperation in Science and Technology) is a funding agency for research and innovation networks. The COST ACTIONS help connect research initiatives across Europe and enable scientists to grow their ideas by sharing them with their peers. This boosts their research, career and innovation.
One Health drugs against parasitic vector borne diseases in Europe and beyond
OneHealthdrugs
24/10/2022
23/10/2026
27/05/2022
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Maria Paola Costi
Anabela Cordeiro da Silva
Maria Cristina Notarsanto
Maria Esposito and Laura Leonardi