28 Jul 2021

New article about theoretical three-dimensional zinc complexes


In collaboration with other colleages, a theoretical three-dimensional study of known zinc ionophores was performed. Aided by a computational energetic study, we proposed that some dietary flavonoids, glutathione and amino acids could form zinc complexes and facilitate the transport of zinc, with the possible biological implications and potential health benefits of these natural compounds. The study is based on obtaining a molecular conformational structure of the zinc complexes with the lowest possible energy content. The discovery of novel substances that act as zinc ionophores is an attractive research topic that offers exciting opportunities in medicinal chemistry. We propose that these novel complexes could be promising candidates for drug design to provide new solutions for conditions and diseases related to zinc deficiency or impairment derived from the dysregulation of this important metal.

Ref.: "Three-Dimensional Zinc Complexes with Glutathione, Amino Acids and Flavonoids" J. M. Pérez de la Lastra , C. Andrés-Juan , F.J. Plou and E. Pérez-Lebeña. Stresses (2021), 1(3), 123-141; doi: 10.3390/stresses1030011