Amine and Aldehyde Substitution of Meldrum’s Acid Derivatives: Antifungal, Molecular Docking Studies and ADMET

Abstract

Drug-resistant fungal infections present a significant clinical problem, especially as susceptible patient populations undergo complex surgical procedures or have reduced immune function. This research examines the antifungal activity, binding relationships with target proteins, and absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of Meldrum's acid derivatives with amine and aldehyde substitutions. The study employs a combination of in vitro assays, molecular docking studies, and ADMET profiling to assess the potential of these compounds as antifungal agents.