Open AccessMODELING OF MELATONIN ANTIOXIDANT ACTIVITY IN ASPECT OF CLINICAL APPLICATION IN COVID-19
Author(s) -
V.V. Solovyov,
T.Yu. Kuznetsova,
O.E. Ilyash,
N.V. Solovyova,
A.V. Ivanchenko,
T.I. Yarmola
Publication year - 2022
Publication title -
aktualʹnì problemi sučasnoï medicini: vìsnik ukraïnsʹkoï medičnoï stomatologìčnoï akademì
Language(s) - English
Resource type - Journals
eISSN - 2077-1126
pISSN - 2077-1096
DOI - 10.31718/2077-1096.22.1.117
Subject(s) - melatonin , antioxidant , radical , superoxide , chemistry , hydroxyl radical , oxidative stress , reactive oxygen species , biophysics , biochemistry , medicine , biology , enzyme
The most important function of melatonin according to medical clinical trials is antioxidant activity (along with gerontoprotective, anti-stress, immunomodulatory, anti-inflammatory, etc.), which is found everywhere in the human body, as melatonin penetrates all organs and tissues. Therefore, it is important to study the effectiveness of endogenous antioxidants by modelling the mechanism of their interaction with free radicals by quantum chemistry in combination with experimental methods, including electrochemical that enables not only to justify the positive effect of antioxidants, but also to establish the potential significance of these substances as medicines. Electrochemical studies have confirmed the antioxidant properties of melatonin and at the macroscopic level the fundamental difference in the mechanisms of inhibition of antioxidant molecules of hydroxyl radicals and superoxide anion radicals under predominant antioxidant activity with melatonin has been proven. The antioxidant activity of melatonin in the aspect of its clinical application in COVID-19 was supported by comparing the results of quantum chemical studies obtained at the nano-scale (redistribution of electron density, orders of relations between atoms, energy characteristics) with changes in the macroscopic parameters of the process of electroreduction of reactive oxygen species in the presence of melatonin. The potential of applying quantum chemical calculations in combination with electrochemical studies has been demonstrated to substantiate and establish the characteristics and differences of antioxidant activity of melatonin when interacting with a superoxide anion radical and a hydroxyl radical in order to predict ways to create new medicines based on the pharmacological activity of melatonin for its clinical use in COVID-19.