Characterization of Bioactive Ligands with Antioxidant Properties of Kiwifruit and Persimmon Cultivars Using In Vitro and in Silico Studies

Abstract

The current study attempted to understand the interaction profiles of phytoconstituents in new and traditionally used fruit cultivars with human serum albumin (HSA) in the context of predicting the biological role under in vivo conditions. Therefore, polyphenols, flavonoids, flavanols, tannins, vitamin C, secondary metabolites and their antioxidant capacities of organic kiwifruit Actinidia (A.) eriantha cv. Bidan (AEB) and A. arguta cv. Cheongsan (AAC), as new cultivars grown in Korea, and widely consumed A. deliciosa cv. Hayward (ADH) and Diospyros kaki Thunb. cv. Fuyu (DKF) were determined and compared. All investigated fruits showed relatively high antioxidant capacities. To complement the bioactivity of these fruits, the binding properties between extracted polyphenols and HSA were determined by 3D-fluorescence spectroscopy and docking studies. The most bioactive was AEB with the highest percentage of binding, following by AAC, ADH and DKF. Our study for the first time unveils the differential binding properties of kiwifruit and persimmon phytoconstituents with HSA. Although cultivars possess virtually the same phytoconstituents, presence of one unique compound significantly alters the binding properties of HSA. The results of fluorescence quenching and molecular docking showed that these fruits possess multiple properties, which have a great potential to be used in industry with emphasis on the formulation of functional foods and medicinal applications.

Bioactivities of Phenolic Compounds from Kiwifruit and Persimmon

“…The detailed procedures of the extraction, determination of bioactive compounds and their antioxidant capacities were described in our very recent reports [ 52 , 63 , 64 ]. For polyphenol extraction, the freeze-dried powders of investigated samples were immersed in absolute methanol (1/10 w / v ).…”

“…Total antioxidant capacity was determined by the following assays, which are also described in our recent reports [ 52 , 63 , 64 ].…”

“…As mentioned above, changes in the fluorescence intensities were used in the estimation of quenching activities. [ 52 , 63 , 64 ].…”

Unraveling the Antioxidant, Binding and Health-Protecting Properties of Phenolic Compounds of Beers with Main Human Serum Proteins: In Vitro and In Silico Approaches

“…As can be seen from the results (Table 3), the obtained evaluation is in agreement with recent reports about the influence of ethanol with HSA and fibrinogen interaction, where the binding was in the range of 2.6-3.1%. According to some reports [32,33], the ethanolic extracts showed quenching of HSA in comparison with water extracts of about 2.9%. Ethanol has a low influence on the quenching of HSA, but in different samples of investigated beers, having high amounts of total polyphenols and flavonoids (Table 1), increasing binding percentages appeared (Table 3, binding of ROST about 31%), and corresponded to higher antioxidant activity of the product.…”

“…Pattanayak et al [30] and Latruffe et al [31] reported binding properties between ellagic acid, resveratrol and other polyphenols, where phenolic acids and flavonoids effectively quenched the intrinsic fluorescence of HSA by static quenching. Leontowicz et al [32] and Kim et al [33] showed the binding properties of polyphenols from kiwi fruit and persimmons with HSA. All the above studies, including the present one, showed the evaluation of transport and releasing efficiency at the target site in the human physiological system since HSA is the most important carrier protein in blood serum.…”