A Growing Public Health Problem in Europe with Potential Severe Renal Involvement.

Dengue is an arboviral infection transmitted by the mosquito of the Aedes genus, widespread especially in tropical and subtropical regions but now with worldwide involvement. Cases of contagion are also progressively increasing in Europe, and the differential diagnosis with other infections is not always easy. Renal involvement with acute renal failure is possible and caused by the direct action of the virus, hemodynamic instability, rhabdomyolysis, or acute glomerular damage.

HessFit: A Toolkit to Derive Automated Force Fields from Quantum Mechanical Information.

In this study, we introduce a novel approach to enhance the accuracy of molecular dynamics simulations by refining the force fields (FFs) through a combination of transferable parameters and molecule-specific characteristics derived from quantum mechanical (QM) calculations. Traditional FFs often prioritize generality over precision, leading to limitations in the accuracy of accurately capturing intra- and intermolecular interactions. To address this, we present an open-source toolkit, called HessFit, designed to integrate QM-derived bonded parameters and atomic charges into existing FFs.

A chemical modification of a peroxisome proliferator-activated receptor pan agonist produced a shift to a new dual alpha/gamma partial agonist endowed with mitochondrial pyruvate carrier inhibition and antidiabetic properties.

New analogs of the PPAR pan agonist AL29-26 encompassed ligand (S)-7 showing potent activation of PPARα and -γ subtypes as a partial agonist. In vitro experiments and docking studies in the presence of PPAR antagonists were performed to help interpretation of biological data and investigate the main interactions at the binding sites. Further in vitro experiments showed that (S)-7 induced anti-steatotic effects and enhancement of the glucose uptake.

Micronized/ultramicronized palmitoylethanolamide improves depression and fatigue in coronavirus disease 2019 (COVID-19) survivors.

Coronavirus disease 2019 (COVID-19) may lead to neuropsychiatric sequelae. Palmitoylethanolamide (PEA) is an anti-inflammatory and neuroprotective amide used in depressive syndromes. Here we investigate whether micronized/ultramicronized (m/um) PEA improves neuropsychiatric sequelae in COVID-19 survivors.