Extra Virgin Olive Oil's Main Components' Antioxidant Activity and in Silico Effect on AKT1.

The research was done on the olive oil's main constituents' antioxidant activity and their ability to inhibit the AKT1 protein, which is implicated in the development of colorectal cancer. The findings revealed that all of the examined oils fall within the category of extra virgin olive oil (EVOO) and have a high oleic acid content, particularly for samples from wild olives. These oils have high levels of ligstroside and oleocanthal, two important phenolic compounds. Wild olive oils stand out from cultivated ones due to their higher bitterness index. In addition, these oils have the highest concentrations of tocopherols and the best oxidative stability. The ability of these olive oil extracts to neutralize DPPH and ABTS radicals and convert ferric ions (Fe3+) to ferrous ions (Fe2+) for the FRAP test demonstrated their antioxidant properties. Molecular docking was applied to assess the interaction between the main compounds identified in the analysed olive oils and the human AKT1 protein, which is involved in the genesis of colorectal cancer. The findings revealed that lutein, oleuropein aglycone, and ligstroside aglycone had the highest binding affinity for the AKT1 protein.

Exploring the potential of Inula viscosa extracts for antioxidant, antiproliferative and apoptotic effects on human liver cancer cells and a molecular docking study.

In folk medicine, Inula viscosa (Asteraceae) has been traditionally utilized for treating various ailments, including diabetes, bronchitis, diarrhea, rheumatism, and injuries. In this study, we aimed to investigate the chemical composition, antioxidant, antiproliferative, and apoptotic properties of I. viscosa leaf extracts. Extraction was performed using solvents of varying polarities. Antioxidant activity was determined using Ferric reducing antioxidant power (FRAP) and 2,2-azinobis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) assays. The results revealed that aqueous ethanol (70%) and aqueous ethyl acetate (70%) extracts contained high levels of phenols (645.58 ± 8.77 mg CE/g) and flavonoids (180.69 ± 1.54 mg QE/g), respectively. Aqueous ethanol (70%) extract exhibited the highest antioxidant activity with IC50 of 572.74 µmol TE/g DW (µmol Trolox equivalent in 1g of dry extract) in the ABTS assay and 76862.06 µM TE/g DW in the FRAP test. All extracts showed a considerable dose-dependent cytotoxic effect on cancerous HepG2 cells (P < 0.05). The aqueous ethanol extract demonstrated the highest inhibitory effect (IC50 = 1.67 mg/ml). Treatment with aqueous ethanol (70%) and pure ethyl acetate extracts significantly increased the number of apoptotic cells to 8 and 6%, respectively, in HepG2 cells (P < 0.05). Additionally, the aqueous ethanol extract significantly elevatedreactive oxygen species (ROS) levels (53%) in HepG2 cells. The molecular docking study identified paxanthone and banaxanthone E as the compounds that exhibited the highest binding affinities with BCL-2. This study demonstrated the potent antioxidant, antiproliferation, and intracellular ROS production of I. viscosa leaf extracts. Further studies should be conducted to identify the active compounds involved.

Effect of the main constituents of Pistacia lentiscus leaves against the DPPH radical and xanthine oxidase: experimental and theoretical study.

The aim of this work is to study the content of phenolic compounds in P lentiscus leaves and their antioxidant effect. After extracting the phenolic compounds, fractionation by liquid/liquid partition with increasing polarity gives five extracts. Three of them (ButF, AqF and ButA) were found to have good antioxidant activity. Their IC50s for the inhibition of the free radical formation of DPPH are 1.76 µg/mL, 1.307 µg/ml, and 1.77 µg/mL, respectively. These values are very interesting, considering the effect of the powerful flavonoid quercetin, whose IC50 against DPPH is 1.53 µg/mL. These extracts are also active against xanthine oxidase (XO). The IC50s measured are 0.14 mg/mL, 0.186 mg/mL and 0.33 mg/mL for ButF, Aq F and ButAq F extract respectively, in comparison with allopurinol (0.44 mg/mL). A phytochemical analysis by LC/ESI-MS-MS was performed to explain the observed activities. The results show 22 peaks representing: flavanols, namely catechin, d-Gallocatechin, and gallocatechin gallate. The only flavone detected in the studied extracts was luteolin glucuronide and was found to be in higher amounts in butanolic extract (2,71mg/mL). The phenolic acids and derivatives were also identified in the extracts. A theoretical study was performed to deduce the specificity of the binding between the major compounds identified in the P. lentiscus extract and the xanthine oxidase enzyme using Schrödinger software. The docking procedure was validated using the extraction of ligands from the binding site. Their re-anchoring to the xanthine oxidase structure using quercetin and allopurinol was considered reference molecules. After docking, post-docking minimization was performed to achieve the best scoring poses with the MM-GBSA approach. The dGBind energy of MM-GBSA representing the binding energy of the receptor and the ligand was calculated based on molecular mechanics. Results reveal that ß-Glucogallin compounds such as Digalloylquinic acid, Gallocatechin, and Myricetin-3-O rhamnoside are more active than allopurinol, with stronger Docking score (Gscore) and MM-GBSA dGBind.Communicated by Ramaswamy H. Sarma.

Genetic flow among olive populations within the Mediterranean basin.

BACKGROUND: The olive tree is a typical crop of the Mediterranean basin where it shows a wide diversity, accounting for more than 2,600 cultivars. The ability to discriminate olive cultivars and determine their genetic variability is pivotal for an optimal exploitation of olive genetic resources. METHODS: We investigated the genetic diversity within 128 olive accessions belonging to four countries in the Mediterranean Basin (Italy, Algeria, Syria, and Malta), with the purpose of better understanding the origin and spread of the olive genotypes across Mediterranean Basin countries. Eleven highly polymorphic simple sequence repeat (SSR) markers were used and proved to be very informative, producing a total of 179 alleles. RESULTS: Cluster analysis distinguished three main groups according to their geographical origin, with the current sample of Maltese accessions included in the Italian group. Phylogenetic analysis further differentiated Italian and Maltese olive accessions, clarifying the intermediate position of Maltese accessions along the x/y-axes of principal coordinate analysis (PCoA). Model-based and neighbor clustering, PCoA, and migration analysis suggested the existence of two different gene pools (Algerian and Syrian) and that the genetic exchange occurred between the Syrian, Italian and Maltese populations. DISCUSSION: The close relationship between Syrian and Italian and Maltese olives was consistent with the historical domestication and migration of olive tree from the North Levant to eastern Mediterranean basin. This study lays the foundations for a better understanding of olive genetic diversity in the Mediterranean basin and represents a step toward an optimal conservation and exploitation of olive genetic resources.