PIF2024 - Understanding molecular mechanisms of immunomodulation using computational chemistry approaches - PID2023-152271NB-I00

Our proposal has two major goals pivoting around the innate immunity mechanisms: I) to deepen in the understanding of the molecular recognition events involved in the therapeutic modulation of Toll-like Receptors (TLR), with especial focus in the identification of novel modulators; and II) to deepen in antimicrobial resistance (AMR)-related molecular mechanisms, in particular: bacterial envelope and bacterial conjugation TrwB protein. Our work is intended to provide knowledge about the atomic-molecular basis of the molecular recognition events of these important biological systems, and contribute to the advance of the understanding of their mechanisms, for the search of novel immunomodulators, and for the fight against AMR.