Theoretical Three-Dimensional Zinc Complexes with Glutathione, Amino Acids and Flavonoids

Zinc plays an important role in the regulation of many cellular functions; it is a signaling molecule involved transduction several cascades response to intra and extracellular stimuli. Labile zinc small fraction total intracellular zinc, that loosely bound proteins easily interchangeable. At level, molecules can bind labile promote its passage across lipophilic membranes. Such are known as ionophores. Several these compounds scientific literature, but most them be harmful human health therefore not allowed for medical use. We here performed theoretical three-dimensional study ionophores, together with computational energetic propose some dietary flavonoids, glutathione amino acids could form complexes facilitate transport possible biological implications potential benefits natural compounds. The based on obtaining molecular conformational structure lowest energy content. discovery novel substances act ionophores attractive research topic offers exciting opportunities medicinal chemistry. promising candidates drug design provide new solutions conditions diseases related deficiency or impairment derived from dysregulation this metal.