Electrochemical Behavior and LC-MS Analysis of Anthocyanin’s in Vaccinium Arctostaphylos L. Extract: The Molecular Modelling of Potential Inhibition to COVID-19 and ROS Generation Receptors

Abstract

Caucasian whortleberry (Vaccinium Arctostaphylos L.) is rich in anthocyanins, which possesses a wide range of biological and pharmaceutical activities. Electrochemical behavior of V. Arctostaphylos extract of dried fruit was performed by cyclic voltammetry and differential pulse voltammetry in aqueous solution. The results show that the level of delphinidin 3-O-glucoside (D3-OG) compound is higher than petunidin 3-O-glucoside (P3-OG) and malvidin 3-O-glucoside (M3-OG) level. This extract has a high solubility in water, and the potential-pH diagram indicates that the D3-OG capable oxidized to D3-OGOX with two electron/two proton process. D3-OG compound has a high antioxidant power because of the oxidation peak potential is low. Furthermore, total antioxidant capacity (1.475 C g−1) was determined by charges under of first oxidation peak. The antioxidant activity of three anthocyanins against Xanthine oxidase, Myeloperoxidase, NADPH oxidase, cytochrome P450 3A4 and 2B4 (ROS generation enzymes) has been performed through molecular docking studies. The results indicated that all the anthocyanins (D3-OG, P3-OG and M3-OG) bound exclusively to the binding site of ROS generation enzymes and have a remarkable role in suppressing the destructive effects of oxidative stress in the biological system of the human body. Also, D3-OG as a major anthocyanin of Vaccinium Arctostaphylos L. extract has an inhibition effect against the COVID-19 outbreak. Electrochemical approaches provided a simple, fast, low cost, green, and high sensitivity methods for investigation of electroactive compounds in plant extracts.

Electrochemical study of 2-amino-5-mercapto-1,3,4-thiadiazole in the absence and presence ofp-benzoquinone: an efficient strategy for the electrosynthesis of new 1,3,4-thiadiazole derivatives

“…In this regard, many other parameters were also obtained, among which the most significant parameter is the docking score. 10 The more negative numerical value of this parameter demonstrates the better biological activity of the electrosynthesized molecules against the target proteins. For simplification, we only reported the highest MolDock Score ( Table 1 ) in the main text.…”

“…7 Among different electrochemical techniques, cyclic voltammetry and constant current electrolysis (CCE) have been developed as signicant methods for the quantitative and qualitative characterization of complex processes on the surface of electrodes. [8][9][10] Generally, 1,3,4-thiadiazole derivatives are well-known ve-membered heterocycles that display a broad spectrum of biological activities such as antimicrobial, anti-inammatory, antituberculosis, anticonvulsant, and anxiolytic functions. 11,12 For over a decade, thiadiazole-based molecules have been widely used as drugs because of their special biological activities, but unfortunately, the widespread use of thiadiazoles has led to the development of severe resistance, which signicantly reduced their efficacy.…”