Identification of novel bioactive compounds from Olea europaea by evaluation of chemical compounds in the OliveNet™ library: in silico bioactivity and molecular modelling, and in vitro validation of hERG activity

Pitsillou, Eleni; Liang, Julia; Beh, Raymond C.; Prestedge, Jacqueline; Catak, Seda; Hung, Andrew; Karagiannis, Tom C.

doi:10.1016/j.compbiomed.2022.105247

Cited by 8 publications

(3 citation statements)

References 117 publications

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“…Of the studied compounds, 313 were expected to be absorbed by the gastrointestinal tract, among which hydroxytyrosol needed the least force to pass through the lipid bilayer. The authors suggested further in vitro evaluation for P-gp's inhibition of the following potential candidates: oleuropein aglycone decarboxymethyl dialdehyde acetal form, decarboxymethyl elenolic acid dialdehyde, acetal of decarboxymethyl elenolic acid dialdehyde, methyl malate-β-hydroxytyrosol ester, hydroxytyrosil elenolate, D-(+)-erythro-1-(4-hydroxy-3methoxy)-214-phenyl-1,2,3-propantriol, (+)-1-acetoxypinoresinol-4-O-methyl ether, and 3-[1-(hydroxymethyl)-(E)-1-propenyl] glutaric acid, due to their properties (e.g., good absorption and membrane permeability, non-hepatotoxicity, non-substrates of P-gp, and non-inhibition of CYP450 enzymes or hERG) [80].…”

Section: Ex Vivomentioning

confidence: 99%

Study Models of Drug–Drug Interactions Involving P-Glycoprotein: The Potential Benefit of P-Glycoprotein Modulation at the Kidney and Intestinal Levels

Veiga-Matos,

Morales,

Prieto

et al. 2023

Molecules

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P-glycoprotein (P-gp) is a crucial membrane transporter situated on the cell’s apical surface, being responsible for eliminating xenobiotics and endobiotics. P-gp modulators are compounds that can directly or indirectly affect this protein, leading to changes in its expression and function. These modulators can act as inhibitors, inducers, or activators, potentially causing drug–drug interactions (DDIs). This comprehensive review explores diverse models and techniques used to assess drug-induced P-gp modulation. We cover several approaches, including in silico, in vitro, ex vivo, and in vivo methods, with their respective strengths and limitations. Additionally, we explore the therapeutic implications of DDIs involving P-gp, with a special focus on the renal and intestinal elimination of P-gp substrates. This involves enhancing the removal of toxic substances from proximal tubular epithelial cells into the urine or increasing the transport of compounds from enterocytes into the intestinal lumen, thereby facilitating their excretion in the feces. A better understanding of these interactions, and of the distinct techniques applied for their study, will be of utmost importance for optimizing drug therapy, consequently minimizing drug-induced adverse and toxic effects.

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Section: Ex Vivomentioning

confidence: 99%

Study Models of Drug–Drug Interactions Involving P-Glycoprotein: The Potential Benefit of P-Glycoprotein Modulation at the Kidney and Intestinal Levels

Veiga-Matos,

Morales,

Prieto

et al. 2023

Molecules

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“…This culminates in the effort to build a public database of chemical compounds originating from olives, which are summarized in the OliveNet™ library (2023) . This compound database was recently harnessed for an in-silico validation and docking studies of potential interactors with the human Ether-à-go-go-Related Gene (hERG) potassium ion channel ( Pitsillou et al., 2022 ).…”

Section: Introductionmentioning

confidence: 99%

Innovations towards sustainable olive crop management: a new dawn by precision agriculture including endo-therapy

Grandi,

Oehl,

Lombardi

et al. 2023

Front. Plant Sci.

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Olive trees (Olea europaea L.) are deeply interwoven with the past, present and future of Mediterranean civilizations, both as essential economical as well as cultural valuables. Olive horticulture constitutes one of the primary agroecosystems in the Mediterranean regions of today. Being inhabitant of ecological niches, Olea europaea is prone to a peculiar vulnerability towards climatic and socioeconomical transformations that are briskly reshaping regional and global agroecosystems. Because of climatic changes and the biosafety risks of global agricultural trades, olive plants are highly susceptible to newly emerging diseases and pests, and the traditional olive horticultural crop protection practices are under scrutiny towards reducing their ecological impact. Hence there is an eminent demand for a more nature-positive olive tree crop management. Recent innovations in precision agriculture are raising the prospect for innovative crop protection methods that may provide olive farmers the required agility to respond to present and future agricultural challenges. For instance, endo-therapy, which is the systemic delivery of active ingredients via trunk injection, is a technology that holds promise of a true step-change in sustainable olive crop management. Endo-therapy allows reaching vascular diseases inaccessible to foliar treatments and delivers active ingredients in a precise manner with no risks of off-target drifts. Similarly, progresses in biological precision delivery using controlled release of active ingredients based on innovative formulation technologies are showing an exciting potential for more targeted and sustainable crop protection solutions. This review summarizes the latest innovations on both physical and biological precision deliveries in the realm of olive arboriculture in the Mediterranean regions and gives an outlook how these technologies may help orchestrating innovative olive culture practices soon.

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“…Indeed, almond fruits have antioxidant and antiinflammatory properties, modulate glucose levels (Gervasi et al, 2021), and positively affect cognitive characteristics (Rakic et al, 2022). Extra virgin olive oil, obtained from the mechanical pressing of olives, is considered a key bioactive food due to its high nutritional qualities and concentration of monounsaturated fatty acids, as well as phenolic compounds such as oleuropein, which confer antioxidant, anti-inflammatory, antimicrobial, anti-aging, and neuroprotective properties (Pitsillou et al, 2022). Fig fruits are compounded by numerous antioxidant vitamins, sugars, dietary fiber, organic acids, phenolic compounds, organic acids, and carotenoids that can inhibit free radical formation (Arvaniti et al, 2019;Rezagholizadeh et al, 2022).…”

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confidence: 99%

Economic sustainability assessment of Mediterranean crops: A comparative Life Cycle Costing (LCC) analysis

Spada

Stillitano

Falcone

et al. 2022

Front. Sustain. Food Syst.

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The production of food with beneficial health effects is at the attention of consumer entrepreneurs and public decision-makers. Plants with established health benefits such as almonds, olives from which olive oil is made, and figs have always been cultivated in the Mediterranean basin. In the past, these three crops were widely cultivated in Italy, particularly in the southern part, where the best soil and climate conditions persisted. Today, however, almond and fig production is at an all-time low. The present study aims to assess the economic sustainability of investments in shell almond, olive, and fig farms by integrating Life Cycle Costing (LCC) methodology with specific economic indicators. In addition, a comparison between the three crops is made based on all economic results. The analysis allowed for the consideration of all costs over the entire life cycle of the investments, streamlining business decision-making for the choice between different alternatives. The results demonstrated greater economic profitability of investments in shelled almonds and dried figs and an adequate level of profitability. On the other hand, the results for olive trees were low. In this context, the production of almonds and figs could represent an important agribusiness chain, useful for the improvement of the rural economy.

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Identification of novel bioactive compounds from Olea europaea by evaluation of chemical compounds in the OliveNet™ library: in silico bioactivity and molecular modelling, and in vitro validation of hERG activity

Cited by 8 publications

References 117 publications

Study Models of Drug–Drug Interactions Involving P-Glycoprotein: The Potential Benefit of P-Glycoprotein Modulation at the Kidney and Intestinal Levels

Study Models of Drug–Drug Interactions Involving P-Glycoprotein: The Potential Benefit of P-Glycoprotein Modulation at the Kidney and Intestinal Levels

Innovations towards sustainable olive crop management: a new dawn by precision agriculture including endo-therapy

Economic sustainability assessment of Mediterranean crops: A comparative Life Cycle Costing (LCC) analysis

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