Theoretical Three-Dimensional Zinc Complexes with Glutathione, Amino Acids and Flavonoids
| Autor: | José M. Pérez de la Lastra, Francisco J. Plou, Eduardo Pérez-Lebeña, Celia Andrés-Juan |
|---|---|
| Přispěvatelé: | Junta de Castilla y León, Interreg MAC, Agencia Canaria de Investigación, Innovación y Sociedad de la Información, Caja Canarias, Ministerio de Economía y Competitividad (España), Pérez de Lastra, José Manuel, Andrés-Juan, Celia, Plou Gasca, Francisco José, Pérez de Lastra, José Manuel [0000-0003-4663-5565], Andrés-Juan, Celia [0000-0003-1583-7439], Plou Gasca, Francisco José [0000-0003-0831-893X] |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
natural products
QH301-705.5 chemistry.chemical_element Zinc 03 medical and health sciences chemistry.chemical_compound Extracellular medicine Molecule Aminoácidos glutathione Biology (General) polyphenols 030304 developmental biology Flavonoids chemistry.chemical_classification 0303 health sciences 030302 biochemistry & molecular biology Glutathione Dietary supplements medicine.disease Glutathione - Therapeutic use Amino acid Transduction (biophysics) Membrane chemistry Biochemistry Zinc ionophore dietary supplement Zinc deficiency |
| Zdroj: | Stresses, Vol 1, Iss 11, Pp 123-141 (2021) Digital.CSIC. Repositorio Institucional del CSIC instname Stresses Volume 1 Issue 3 Pages 11-141 |
| ISSN: | 2673-7140 |
| Popis: | Producción Científica Zinc plays an important role in the regulation of many cellular functions; it is a signaling molecule involved in the transduction of several cascades in response to intra and extracellular stimuli. Labile zinc is a small fraction of total intracellular zinc, that is loosely bound to proteins and is easily interchangeable. At the cellular level, several molecules can bind labile zinc and promote its passage across lipophilic membranes. Such molecules are known as ionophores. Several of these compounds are known in the scientific literature, but most of them can be harmful to human health and are therefore not allowed for medical use. We here performed a theoretical three-dimensional study of known zinc ionophores, together with a computational energetic study and propose 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. Junta de Castilla y León y Fondo Europeo de Desarrollo Regional (FEDER) - (Projects VA115P17 and VA149G18) Fondo Europeo de Desarrollo Regional (FEDER) y Agencia Canaria de Investigación, Innovación y Sociedad de la Información (ACIISI) del Gobierno de Canarias - (Project ProID2020010134) CajaCanarias (project 2019SP43) Ministerio de Economía, Industria y Competitividad - (Grant PID2019-105838RB-C31) |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|