In vitro and in silico interaction of faba bean (Vicia faba L.) seed extract with xanthine oxidase and evaluation of antioxidant activity as a therapeutic potential

Abstract

Acetone extract of faba bean (Vicia faba L.) was found to be highest total phenol and flavonoid content among all extracts. Antioxidant activity for inhibition percentage (free radical scavenging activity) had 86.47% for acetone extract, and 97.36% for ascorbic acid respectively. IC value of ascorbic acid and acetone extact were found to be 9 μg/mL ± 0.20 and 30 μg/mL ± 0.21. Faba bean seeds had catechin, epicatechin, gallic acid and ellagic acid which on molecular docking study revealed that it binds effectively with xanthine oxidase by binding energy of -7.78, -6.11, -6.39, -5.78 kcal/mol respectively compared to allopurinol drug having binding energy of -4.94 kcal/mol. Gallic acid, ellagic acid, catechin, epicatechin (polyphenols) and allopurinol bind other than catalytic residues (Glu-1261) of xanthine oxidase. In vitro and in silico analysis recommended that mode of enzyme inhibition was mixed type.

Purification, kinetic parameters, and isoforms of polyphenol oxidase from “Xushu 22” sweet potato skin

“…For mPPO, the best inhibitor GSH, which exhibited an non‐competitive inhibition mechanism with catechol as substrate, and GSH will not compete for the active sites between mPPO and substrates (Figure 5a (c)), which was similar to cinnamon myrtle (Sommano, Kumpoun, & Yusuf, 2017), while an anti‐competitive inhibition for GSH using 4‐methylcatechol (Figure 5b (c)). Ascorbic acid‐induced mixed‐type inhibition on sPPO1 with chlorogenic acid as substrate and may bind to both sPPO1 and enzyme‐substrate complex (Figure 5a (a)), which was close to faba bean (Choudhary & Mishra, 2018). While ascorbic acid reacted as competitive inhibitors of sPPO1 using catechol (Figure 5b (a)).…”

“…with chlorogenic acid as substrate and may bind to both sPPO1 and enzyme-substrate complex (Figure 5a (a)), which was close to faba bean (Choudhary & Mishra, 2018). While ascorbic acid reacted as competitive inhibitors of sPPO1 using catechol (Figure 5b to the used substrates (Benaceur et al, 2020;Bravo & Osorio, 2016).…”

Vicia plants—A comprehensive review on chemical composition and phytopharmacology

“…Vicia seeds contain phenolic acids (gallic, ellagic, fukiic, syringic, salicylic, and so forth), flavonoids (catechin, quercetin, apigenin, kaempferol, diosmetin, naringenin, luteolin derivatives, and so forth), organic acids (citric, malic, and so forth), hydroxybenzoic aldehyde and also amino acids (vicine, isoleucine, tyrosine, and so forth), some lignans, and terpenoids as shown by many studies (Abu‐Reidah, Arráez‐Román, Warad, Fernández‐Gutiérrez, & Segura‐Carretero, 2017; Abozeid et al, 2018; Amarowicz & Shahidi, 2018; Boukhanouf et al, 2016; Choudhary & Mishra, 2018; Hoganesyan et al, 2004; Kwon et al, 2018; Lee et al, 2017; Megías et al, 2016; Satpathy & Gupta, 2014). Allam, Nafady, Khedr, Nakagawa, and Shimizu (2018) reported antioxidant and antiallergic properties of many compounds in V. faba flowers including flavonoid glycosides and adenosine.…”

“…Thus, it was suggested the use of broad bean pods as an efficient functional food for management of diabetes and its complications (Mejri et al, 2018). Recently, Choudhary and Mishra (2018) carried out an in vitro investigation of hypoglycemic and oxidative stress properties of fava bean ( V. faba ) seed extract in S. cerevisiae acetone extract showed a significant effect on glucose uptake rate (77.28 ± 2.42%) in yeast cells at 25 mM glucose concentration. In contrast, a minimum glucose uptake rate was found to be 52.36 ± 2.06% by chloroform seed extract.…”

“…Phenolic acids, flavonoids, organic acids, hydroxybenzoic aldehyde, and also amino acids, lignans, and terpenes are present in Vicia seeds, and this allows to consider these seeds as potential drugs and food additive applications (Amarowicz & Shahidi, 2018). Vicia seeds have been shown to possess relevant antioxidant and nitric oxide scavenging activity, in addition to metal chelating agent and enzymes inhibitors (Amarowicz & Shahidi, 2018; Boukhanouf, Louaileche, & Perrin, 2016; Choudhary & Mishra, 2018; Kwon et al, 2018; Lee, Lee, Kim, & Raveendar, 2017; Megías et al, 2009; Megías et al, 2016; Montahaedargah, Moradi, & Ebrahimzadeh, 2017; Satpathy & Gupta, 2014). In the following information regarding the cultivation and habitat of Vicia plants, the composition of their essential oil (EO), the possible perspective uses as food, food supplements and nutraceuticals (Santini & Novellino, 2017) as well as the biological activities, and the traditional and current medicinal uses are described.…”