Naslov (eng)

Binding of the commonly used antioxidants (quercetin, resveratrol, and dihydrolipoic acid) to major circulating proteins-spectroscopic and in silico docking and molecular dynamic simulation studies

Autor

Šunderić, Miloš
Šukalović, Vladimir
Penezić, Ana
Nikolić, Milan R.
Nedić, Olgica
Minić, Simeon
Četić, Danilo
Gligorijević, Nikola

Publisher

Opis (eng)

ABSTRACT Poor bioavailability and reduced stability are the main drawbacks to efficiently utilizing many naturally occurring antioxidants, so their binding to circulatory proteins is essential. This work investigated whether major human circulatory proteins, besides albumin, including transferrin, alpha-2-macroglobulin, and fibrinogen, bind widely consumed antioxidants and food supplements, including quercetin, trans-resveratrol, and dihydrolipoic acid, thus filling the gap of detailed pharmacokinetic properties of these food supplements. Detailed examination of the protein structural and functional changes that occur upon ligand binding was analyzed by spectroscopic methods and in silico docking and molecular dynamic simulation studies on the model that consists of the protein/antioxidant pair with the highest affinity constant. It was found that alpha-2-macroglobulin binds trans-resveratrol with the highest affinity (Ka of 4.5 x 104 M−1).

Jezik

engleski

Datum

2025

Licenca

Ovo delo je licencirano pod uslovima licence
Creative Commons CC BY-NC-ND 4.0 - Creative Commons Autorstvo - Nekomercijalno - Bez prerada 4.0 International License.

http://creativecommons.org/licenses/by-nc-nd/4.0/legalcode

Predmet

Antioxidants; proteins; alpha-2-macroglobulin; resveratrol; quercetin; dihydrolipoic acid

Deo kolekcije (1)

o:25140

Radovi Instituta za primenu nuklearne energije - INEP