Instituto de Química Médica

Beyond the Active Site: First‐In‐Class Leishmania Infantum Trypanothione Reductase Dimerization Disruptors as Antileishmanial Leads

Leishmania infantum trypanothione reductase (Li‐TryR) is an essential enzyme for parasite redox homeostasis and a validated target for antileishmanial therapy. Classical inhibitors acting at the active site have shown limited success due to poor selectivity, suboptimal pharmacolo...

Enthalpies of formation, proton affinities, and gas-phase basicities of protonated azoles and quaternary azolium salts

Abstract The enthalpies of formation of five families of azoles, parent, protonated parent, neutral N -methyl azoles, protonated N -methyl azoles, and N,N -dimethyl quaternary salts from pyrazole to benzotriazole, in all, 82 compounds, have been studied theoretically and compared...

Iron Oxide Nanoparticles for Ligand‐Mediated Targeted Imaging

Superparamagnetic iron oxide nanoparticles (SPIONs) are widely employed as platforms for ligand-mediated targeting in multimodal imaging and targeted therapeutic applications owing to their intrinsic magnetic properties and versatility for surface and core modification. In additi...