Drug repurposing against antibiotic resistant bacterial pathogens.

The growing prevalence of MDR and XDR bacterial pathogens is posing a critical threat to global health. Traditional antibiotic development paths have encountered significant challenges and are drying up thus necessitating innovative approaches. Drug repurposing, which involves identifying new therapeutic applications for existing drugs, offers a promising alternative to combat resistant pathogens.

Polymorph-Specific Solubility Prediction of Urea Using Constant Chemical Potential Molecular Dynamics Simulations.

Molecular dynamics simulations offer a robust approach to understanding the material properties within a system. Solubility is defined as the analytical composition of a saturated solution expressed as a proportion of designated solute in a designated solvent, according to IUPAC. It is a critical property of compounds and holds significance across numerous fields.