Bioavailability Of Compounds Research Articles

Quantum mechanical, spectroscopic, docking studies (Dementia & breast cancer) and in-vitro assays of phytochemical compound Dehydrozingerone by DFT

Density functional theory (DFT) based quantum computing techniques were used to study the phytochemical compound Dehydrozingerone (DHZ), which originated from the ginger plant Zingiber officinale. Structural analyses, of the title compound such as FTIR, FTR, and Ultraviolet-Visible (UV-Vis) are performed both theoretically and experimentally. DHZ was optimized for the most stable molecular structure. Vibrational frequencies were scaled using a scaling factor, and prominent peaks were identified. Potential energy distribution (%PED) assignments were also examined to determine the percentage of vibrational transitions. Four different solvents were quantitatively analyzed using TD-DFT from UV-Vis spectra. HOMO-LUMO calculations were performed to forecast Dehydrozingerone's stability and non-toxicity. The Natural Bond Orbital (NBO) method was used to study inter- and intra-molecular interactions. DOS spectra were convoluted to analyse the overlapping interactions of the various bonds present in DHZ. Population analysis, such as Mulliken and Natural, was conducted to determine the charge distribution within the compound. Topological analyses such as ELF, LOL and reactive site of DHZ were identified using MEP. Non-linear optical (NLO) behaviour was further studied and compared to urea, a prototype substrate. Drug likeness and Ramachandran plot were determined. Using the Autodock tools for molecular docking studies, the pharmaceutical importance of DHZ was analysed for targeted proteins 4MS4 (anticonvulsant), 7AIX (dementia syndrome), 7E9B (anti-brain cancer) and 7C00 (anti-breast cancer). The biological activity of breast cancer was analysed both theoretically (protein) and experimentally (MCF7). The standard drug was theoretically studied for the four proteins, and binding energies are comparable, implying that DHZ could be a suitable drug for the control and treatment of anti-convulsant, dementia, brain tumours and breast cancer. To better understand the toxicity and bioavailability of the title compound, cytotoxicity assays were also performed.

Chemical characterization and biological properties of oyster and shiitake mushrooms extracts and their liposomal formulations

In recent years, the production of liposomal formulations using mushroom extracts has gained increasing interest to increase the bioavailability of bioactive compounds in the nutraceutical field. Based on this information, we aimed to determine the antioxidant capacity (by DPPH, ABTS, CUPRAC and FRAP assays) and enzyme inhibition (against cholinesterase, amylase, glucosidase and tyrosinase) activities of alone and liposomal formulations of Pleurotusostreatus (OYE) or Lentinusedodes (SHE) in different extracts solvents which were methanol (MeOH), aqua (Aq), methanol/aqua (MeOH/Aq). The extracts and formulations were chemically characterized using HPLC-DAD. The mean diameter of SL:SHE and SL:OYE (in MeOH/Aq) extended in range between 60 and 165 nm. The entrapment yields of SL:SHE and SL:OYE (in MeOH/Aq) were 63.8% ± 3.7% and 71.2% ± 2.8%, respectively. HPLC-DAD analysis revealed that ferulic and cinnamic acids were main components in the liposomal formulations. Liposomal formulations (in MeOH) showed higher antioxidant activity in the FRAP and CUPRAC assays. SL:SHE (in Aq) showed effective enzyme inhibition activity on acetylcholinesterase, tyrosinase, amylase and glucosidase enzymes. Based on our findings, the liposomal formulations can be a valuable strategy in preparing functional applications with shiitake and oyster mushrooms.

Natural compounds-based nanomedicines for cancer treatment: Future directions and challenges.

Several efforts have been extensively accomplished for the amelioration of the cancer treatments using different types of new drugs and less invasives therapies in comparison with the traditional therapeutic modalities, which are widely associated with numerous drawbacks, such as drug resistance, non-selectivity and high costs, restraining their clinical response. The application of natural compounds for the prevention and treatment of different cancer cells has attracted significant attention from the pharmaceuticals and scientific communities over the past decades. Although the use of nanotechnology in cancer therapy is still in the preliminary stages, the application of nanotherapeutics has demonstrated to decrease the various limitations related to the use of natural compounds, such as physical/chemical instability, poor aqueous solubility, and low bioavailability. Despite the nanotechnology has emerged as a promise to improve the bioavailability of the natural compounds, there are still limited clinical trials performed for their application with various challenges required for the pre-clinical and clinical trials, such as production at an industrial level, assurance of nanotherapeutics long-term stability, physiological barriers and safety and regulatory issues. This review highlights the most recent advances in the nanocarriers for natural compounds secreted from plants, bacteria, fungi, and marine organisms, as well as their role on cell signaling pathways for anticancer treatments. Additionally, the clinical status and the main challenges regarding the natural compounds loaded in nanocarriers for clinical applications were also discussed.

Harnessing the Potential of Quinoa: Nutritional Profiling, Bioactive Components, and Implications for Health Promotion.

Quinoa, a globally cultivated "golden grain" belonging to Chenopodium in the Amaranthaceae family, is recognized for being gluten-free, with a balanced amino acid profile and multiple bioactive components, including peptides, polysaccharides, polyphenols, and saponins. The bioactive compounds extracted from quinoa offer multifaceted health benefits, including antioxidative, anti-inflammatory, antimicrobial, cardiovascular disease (CVD) improvement, gut microbiota regulation, and anti-cancer effects. This review aims to intricately outline quinoa's nutritional value, functional components, and physiological benefits. Importantly, we comprehensively provide conclusions on the effects and mechanisms of these quinoa-derived bioactive components on multiple cancer types, revealing the potential of quinoa seeds as promising and effective anti-cancer agents. Furthermore, the health-promoting role of quinoa in modulating gut microbiota, maintaining gut homeostasis, and protecting intestinal integrity was specifically emphasized. Finally, we provided a forward-looking description of the opportunities and challenges for the future exploration of quinoa. However, in-depth studies of molecular targets and clinical trials are warranted to fully understand the bioavailability and therapeutic application of quinoa-derived compounds, especially in cancer treatment and gut microbiota regulation. This review sheds light on the prospect of developing dietary quinoa into functional foods or drugs to prevent and manage human diseases.

High-Tech Sustainable Beauty: Exploring Nanotechnology for the Development of Cosmetics Using Plant and Animal By-Products

In a world increasingly focused on eco-conscious living, the cosmetic industry is actively adopting nanotechnology to transform plant and animal by-products into high-value beauty products. This comprehensive review explores the innovative and sustainable approaches for extracting and utilizing bioactive compounds from these by-products. The application of nanocarrier systems is highlighted for their role in enhancing the delivery efficacy and safety of these ingredients in skincare and beauty products. Consumer demand and environmental concerns drive the shift towards natural and sustainable cosmetic products. Traditional cosmetic production often involves significant ecological impacts, prompting the industry to seek greener alternatives. This review addresses the critical need for sustainable beauty solutions that align with global sustainability goals, particularly those outlined in the 2030 Agenda for Sustainable Development. The review provides valuable insights into current trends and future directions in sustainable cosmetics by focusing on nanotechnology and by-products. The review uniquely integrates nanotechnology with sustainability practices in the cosmetic industry. It details the benefits of using nanocarriers to improve the stability, bioavailability, and efficacy of bioactive compounds derived from natural waste. This intersection of high-tech methodologies and sustainability offers a novel perspective on cosmetic innovation. Future research should focus on overcoming the technical, regulatory, and economic challenges of scaling up nanotechnology applications. Investigations should include the development of transparent supply chains, standardization methods for characterizing nanoparticles, and comprehensive lifecycle assessments to ensure environmental safety. Additionally, fostering collaboration between scientific research, industry practices, and consumer education is vital for advancing sustainable practices. This review contributes to the broader discourse on sustainable beauty by presenting a clear pathway for integrating these innovative approaches. It ensures that future cosmetic products meet consumer expectations for efficacy and safety and promote environmental stewardship and a circular economy, ultimately benefiting both the skin and the planet.

Neuroprotective Role of Phytoconstituents-based Nanoemulsion for the Treatment of Alzheimer's Disease.

Alzheimer's disease (AD) is the most prevalent form of neurodegenerative disorder (ND), affecting more than 44 million individuals globally as of 2023. It is characterized by cognitive dysfunction and an inability to perform daily activities. The progression of AD is associated with the accumulation of amyloid beta (Aβ), the formation of neurofibrillary tangles (NFT), increased oxidative stress, neuroinflammation, mitochondrial dysfunction, and endoplasmic reticulum stress. Presently, various phytomedicines and their bioactive compounds have been identified for their neuroprotective effects in reducing oxidative stress, alleviating neuroinflammation, and mitigating the accumulation of Aβ and acetylcholinesterase enzymes in the hippocampus and cerebral cortex regions of the brain. However, despite demonstrating promising anti-Alzheimer's effects, the clinical utilization of phytoconstituents remains limited in scope. The key factor contributing to this limitation is the challenges inherent in traditional drug delivery systems, which impede their effectiveness and efficiency. These difficulties encompass insufficient drug targeting, restricted drug solubility and stability, brief duration of action, and a lack of control over drug release. Consequently, these constraints result in diminished bioavailability and insufficient permeability across the blood-brain barrier (BBB). In response to these challenges, novel drug delivery systems (NDDS) founded on nanoformulations have emerged as a hopeful strategy to augment the bioavailability and BBB permeability of bioactive compounds with poor solubility. Among these systems, nanoemulsion (NE) have been extensively investigated for their potential in targeting AD. NE offers several advantages, such as ease of preparation, high drug loading, and high stability. Due to their nanosize droplets, NE also improves gut and BBB permeability leading to enhanced permeability of the drug in systemic circulation and the brain. Various studies have reported the testing of NE-based phytoconstituents and their bioactives in different animal species, including transgenic, Wistar, and Sprague-Dawley (SD) rats, as well as mice. However, transgenic mice are commonly employed in AD research to analyze the effects of Aβ. In this review, various aspects such as the neuroprotective role of various phytoconstituents, the challenges associated with conventional drug delivery, and the need for NDDS, particularly NE, are discussed. Various studies involving phytoconstituent-based NE for the treatment of AD are also discussed.

Nutritional and functional aspects of fermented algae

SummaryIn recent years, there has been an increasing emphasis on natural and healthy nutrition, leading to increased interest in fermented foods and their associated health benefits. In line with this trend, fermentation is employed to enhance the exceptional properties of algae, including their nutritional value and digestibility, rendering them suitable for consumption as food. Fermentation of algae involves the conversion of carbohydrates into alcohol or organic acids by microorganisms, including bacteria or yeast. First of all, the fermentation process results in enhanced antioxidant activity, antimicrobial effects, anti‐inflammatory properties, immunomodulatory effects, anti‐glycation activity, antihypertensive effects and neuroprotective activity by increasing the bioavailability of bioactive compounds in algae. In addition, this method encourages the incorporation of algae into food products. In this process, both the flavour and texture are enhanced, while simultaneously preserving and enriching the beneficial nutrients and compounds present in algae. Despite the availability of various fermented algae products in the market, their widespread adoption has yet to be realised. The incorporation of fermented algae into food products not only enhances their nutritional content but also fosters the emergence of a new segment within the fermented food market. Herein, the concept of fermented algae, the fermentation process, its nutritional value and its health benefits are explored.

Enhancing hepatoprotective action: oxyberberine amorphous solid dispersion system targeting TLR4

Oxyberberine (OBB) is a significant natural compound, with excellent hepatoprotective properties. However, the poor water solubility of OBB hinders its release and absorption thus resulting in low bioavailability. To overcome these drawbacks of OBB, amorphous spray-dried powders (ASDs) of OBB were formulated. The dissolution, characterizations, and pharmacokinetics of OBB-ASDs formulation were investigated, and its hepatoprotective action was disquisitive in the D-GalN/LPS-induced acute liver injury (ALI) mouse model. The characterizations of OBB-ASDs indicated that the crystalline form of OBB active pharmaceutical ingredients (API) was changed into an amorphous form in OBB-ASDs. More importantly, OBB-ASDs showed a higher bioavailability than OBB API. In addition, OBB-ASDs treatment restored abnormal histopathological changes, improved liver functions, and relieved hepatic inflammatory mediators and oxidative stress in ALI mice. The spray drying techniques produced an amorphous form of OBB, which could significantly enhance the bioavailability and exhibit excellent hepatoprotective effects, indicating that the OBB-ASDs can exhibit further potential in hepatoprotective drug delivery systems. Our results provide guidance for improving the bioavailability and pharmacological activities of other compounds, especially insoluble natural compounds. Meanwhile, the successful development of OBB-ASDs could shed new light on the research process of poorly soluble medicine.

Discovery of indazole inhibitors for heat shock protein 90 as anti-cancer agents

A series of indazole analogs, derived from the B,C-ring-truncated scaffold of deguelin, were designed to function as C-terminal inhibitors of heat shock protein 90 (HSP90) and investigated as novel antitumor agents against HER2-positive breast cancer. Among the synthesized compounds, compound 12d exhibited substantial inhibitory effects in trastuzumab-sensitive (BT474) and trastuzumab-resistant (JIMT-1) breast cancer cells, with IC50 values of 6.86 and 4.42 μM, respectively. Notably, compound 12d exhibited no cytotoxicity in normal cells. Compound 12d markedly downregulated the expression of the major HSP90 client proteins in both cell types, attributing its cytotoxicity to the destabilization and inactivation of HSP90 client proteins. Molecular docking studies using the homology model of an HSP90 homodimer demonstrated that inhibitor 12d fit nicely into the C-terminal domain, boasting a higher electrostatic complementary score than ATP.In vivo pharmacokinetic study indicated the high oral bioavailability of compound 12 d at F = 66.9 %, while toxicological studies indicated its negligible impact on hERG channels and CYP isozymes. Genotoxicity tests further confirmed its safety profile. The findings collectively position compound 12d as a promising candidate for further development as an antitumor agent against HER2-positive breast cancer.

Enhancing biodegradation of aged hydrocarbon-contaminated soils through toluene addition: assessing effects on solid and slurry phase treatments.

The main challenge in treating aged soils highly contaminated with total petroleum hydrocarbons (TPH) is to enhance their bioavailability for microbial degradation. Hydrocarbons in soils undergo chemical changes that make them more resistant to biodegradation. This study investigates toluene's efficacy in enhancing the biodegradation of aged hydrocarbon-contaminated soil containing 292,000mg TPH kg-1 dry soil. Toluene's effect was compared between solid phase (SOP) and slurry phase (SLP) treatments using a microbial consortium isolated from Cyperus laxus rhizosphere. TPH biodegradation and microbial respiration were measured, the latter to estimate the respiratory quotient (RQ, the ratio between moles of carbon dioxide released and moles of oxygen absorbed during respiration). Toluene significantly accelerated TPH biodegradation in both treatments, achieving ~ 30% higher removal than in a non-solvent control, possibly through improved bioavailability of aromatic compounds and other low molecular weight compounds. According to the RQ analysis, toluene enhanced microbial respiratory processes and hydrocarbon catabolism with higher hydrocarbon mineralization (RQ = ~ 0.5) in both SOP and SLP assays. Our results reveal toluene's potential to increase hydrocarbon availability and microbial degradation efficiency in aged contaminated soils; its use in various bioremediation techniques could be of broad applicability across diverse soil types and pollutants.

Leguminous ferritin, a natural protein for iron supplementation, Pickering emulsion formation and encapsulation of bioactive molecules

AbstractFerritin is a naturally occurring iron storage protein. Leguminous ferritins exhibit unique structural features, including diverse subunit composition and an extension peptide, which contribute to superior thermal stability compared to animal ferritins. The high iron content, remarkable effectiveness, low risk of oxidative damage and thermal stability make the leguminous ferritin an attractive candidate for iron supplementation. Moreover, apoferritin is an excellent nanosized carrier for encapsulating bioactive compounds due to its inherent inner cavity, water solubility, biocompatibility, and reversible self‐assembly behavior. However, the harsh condition during encapsulation by unmodified ferritins may cause damage to sensitive bioactive compounds. Thus, different processing methods are employed to alter the leguminous ferritin structures, including chemical, enzymatic, mild heat treatments, and nonthermal processing to achieve gentler encapsulation conditions for a wide range of bioactive compounds. Another challenge is to improve the stability of leguminous ferritin to withstand gastric digestion. The degradation of ferritin by proteases may lead to premature release of bioactive compounds. Recent works demonstrated that certain phenolic compounds such as proanthocyanidin‐induced protein association, thereby enhancing digestive stability of ferritins, leading to a sustained release and a potentially greater bioavailability of bioactive compounds. Leguminous ferritin also has the potential to serve as a stabilizer for the Pickering emulsion, where the hydrophilic and hydrophobic compounds can be encapsulated in the ferritin nanocages and oil phase, respectively. The release and absorption of bioactive compounds in encapsulates and emulsions will need to be further demonstrated through in vivo studies.

Immunomodulatory and Anticancer Effects of Fridericia chica Extract-Loaded Nanocapsules in Myeloid Leukemia.

Nanocapsules provide selective delivery and increase the bioavailability of bioactive compounds. In this study, we examined the anticancer and immunomodulatory potential of Fridericia chica (crajiru) extract encapsulated in nanocapsules targeting myeloid leukemias. Nanocapsules containing crajiru (nanocapsules-CRJ) were prepared via interfacial polymer deposition and solvent displacement. Size and polydispersity were measured by dynamic light scattering. Biological assays were performed on leukemia cell lines HL60 and K562 and on non-cancerous Vero cells and human PBMC. The anticancer activity was evaluated using cytotoxicity and clonogenic assays, while the immunomodulatory activity was evaluated by measuring the levels of pro- and anti-inflammatory cytokines in PBMC supernatants treated with concentrations of nanocapsules-CRJ. Nanocapsules-CRJ exhibited significant cytotoxic activity against HL60 and K562 cells at concentrations ranging from 0.75 to 50 μg/mL, with the greatest reductions in cell viability observed at 50 μg/mL (p < 0.001 for HL60; p < 0.01 for K562), while not affecting non-cancerous Vero cells and human PBMCs. At concentrations of 25 μg/mL and 50 μg/mL, nanocapsules-CRJ reduced the formation of HL60 and K562 colonies by more than 90% (p < 0.0001). Additionally, at a concentration of 12 μg/mL, nanocapsules-CRJ induced the production of the cytokines IL-6 (p = 0.0002), IL-10 (p = 0.0005), IL-12 (p = 0.001), and TNF-α (p = 0.005), indicating their immunomodulatory potential. These findings suggest that nanocapsules-CRJ hold promise as a potential therapeutic agent with both cytotoxic and immunomodulatory properties.

Antioxidant Properties of Wafers with Added Pumpkin Seed Flour Subjected to In Vitro Digestion

In this study, our research aim was to assess the influence of pumpkin seed flour addition on the antioxidant properties, consumer acceptability, functional properties, and texture of wafers. The in vitro gastrointestinal digestion process was used to assess the effectiveness of fortification in terms of the potential bioavailability of phenolic compounds and peptides. The antioxidant activity of the obtained hydrolysates and potentially bioavailable fractions (≤3.5 kDa) was tested. The highest antiradical activity and Fe2+ chelation ability (IC50) were noted for the fraction obtained from wafers with the greatest addition of pumpkin seed flour—Pf4 (0.49 mg/mL for ABTS+*, 3.84 mg/mL for DPPH*, and 2.04 mg/mL for Fe2+ chelation). The addition of pumpkin seed flour caused the color of the wafers to change to a darker one (24.46% differences in L* between C and P4), which influenced consumer ratings. This study shows that adding pumpkin seed flour increases the peptide and phenolic contents of wafers (1.13 mg/mL and 1.01 mg/mL of peptides and 0.429 mg/mL and 0.351 mg/mL of phenolics for P4 and C hydrolysates, respectively) and enhances their antioxidant activity, with only minimal effects on taste, aroma, crispness, water and fat adsorption capacity, and foaming ability. Fractions ≤ 3.5 kDa showed greater antioxidative activity than hydrolysates, and the addition of pumpkin seed flour improved these properties. To sum up, pumpkin seeds are a valuable source of antioxidant compounds (phenolic compounds and peptides) and can be used to enrich various products.

Coupling of cold atmospheric plasma treatment with ultrasound-assisted extraction for enhanced recovery of bioactive compounds from cornelian cherry pomace

Cornelian cherry pomace is produced during the production of juice from this traditional superfood. Due to its high nutritive value, the by-product can be utilized as a source of bioactive compounds. The present study aimed to develop a sustainable methodology for the recovery of bioactive compounds based on the combination of atmospheric cold plasma (CAP) with ultrasound assisted extraction. The pomace was treated with cold plasma under different conditions. Cyclodextrin was used as green extraction enhancer due to its capacity to develop inclusion complexes with bioactive compounds. CAP pretreatment before extraction appeared to enhance the recovery of the target compounds. GC–MS analysis and in vitro digestion analysis conducted in order to evaluate the composition and the protentional bioavailability of the bioactive compounds. Chemicals compoundsβ-cyclodextrin (PubChem CID: 444041), DPPH free radical (PubChem CID: 2735032), Trolox (PubChem CID: 40634), sodium carbonate (PubChem CID: 10340), gallic acid (PubChem CID: 370) potassium chloride (PubChem CID: 4873), sodium acetate (PubChem CID: 517045), loganic acid (PubChem CID: 89640), pyridine (PubChem CID: 1049, BSTFA(PubChem CID: 94358), potassium chloride (PubChem CID: 4873), ammonium carbonate (PubChem CID: 517111), calcium chloride dehydrate (PubChem CID: 24844), potassium dihydrogen phosphate (PubChem CID: 516951), magnesium chloride hexahydrate (PubChem CID: 24644), sodium hydrogen carbonate (PubChem CID: 516892), sodium chloride (PubChem CID: 5234).

Shaping the bioactive potential, health-promoting properties, and bioavailability of o/w nanoemulsions by modulating the dose of a carotenoid preparation isolated from Calendula officinalis L.

The use of nanotechnology in food production (in particular protein base nanoemulsion) is a solution that is gaining popularity, which allows to design of smart food with targeted health-promoting properties. This study aimed to assess the impact of the dose of the phytochemical extract (1%; 3%; 5% w/w) comprising isolated lipophilic compounds from Calendula officinalis L. on selected physicochemical properties of the emulsion, antioxidant, antidiabetic and antiaging effects, and its impact on carotenoids content and their in vitro bioavailability.The results showed that the use of a 3% extract dosage appears to be optimal for obtaining a nanoemulsion. This variant was characterized by the highest antidiabetic activity and there was no overloading of the nanostructure. Additionally, the use of a pea protein - lipophilic compounds - sunflower/hemp oil matrix to create nanoforms seems to be a promising solution in the context of pro-health properties and bioavailability of bioactive compounds.

Fabrication of phenolic loaded spray-dried nanoliposomes stabilized by chitosan and whey protein: Digestive stability, transepithelial transport and bioactivity retention of phenolics

Low bioavailability of phenolic compounds (phenolics) results in low in vivo bioactivity, thus their co-encapsulation could enhance potential health benefits. In this study, reconstitutable nanoliposomes loaded with phenolics varying in solubility were fabricated using spray drying after stabilized by chitosan (CH) or whey protein (WP). The physicochemical properties, biocompatibility, digestive fate, and bioactivity retention of phenolics in different forms were investigated. The surface charge of nanoliposomes (NL) shifted from −18.7 mV to positive due to conjugation with cationic CH (53.1 mV) and WP (14 mV) after spray drying while it was −26.6 mV for only spray-dried phenolics (SDP). Encapsulation efficiency of the tested phenolics ranged between 64.7 % and 95.1 %. Simulated gastrointestinal digestion/Caco-2 cell model was used to estimate the digestive fate of the phenolics yielding up to 3-fold higher bioaccessibility for encapsulated phenolics compared to their native form, combined or individually. However, the cellular uptake or transepithelial transport of phenolics did not differ significantly among formulations, except trans-resveratrol in WP-NL. On the contrary, the suppressive effect of phenolics on fatty acid induced hepatocellular lipid accumulation was strongly dependent on the encapsulation method, no activity was retained by SDP. These findings suggested that reconstitutable nanoliposomes can improve the absorption of phenolics by facilitating their bioaccessibility and thermal and/or processing stability during spray drying.

Unveiling the dynamic and thermodynamic interactions of hydrocortisone with β-cyclodextrin and its methylated derivatives through insights from molecular dynamics simulations

Cyclodextrins (CDs) can enhance the stability and bioavailability of pharmaceutical compounds by encapsulating them within their cavities. This study utilized molecular dynamics simulations to investigate the interaction mechanisms between hydrocortisone (HC) and various methylated CD derivatives. The results reveal that the loading of HC into CD cavities follows different mechanisms depending on the degree and position of methylation. Loading into βCD and 6-MeβCD was more complete, with the hydroxyl groups of HC facing the primary hydroxyl rim (PHR) and the ketone side facing the secondary hydroxyl rim (SHR). In contrast, 2,3-D-MeβCD and 2,6-D-MeβCD showed a different loading mechanism, with the ketone side facing the PHR and the hydroxyl groups facing the SHR. The root mean square fluctuation (RMSF) analysis demonstrated that methylation increases the flexibility of CD heavy atoms, with 3-MeβCD and 2,3-D-MeβCD exhibiting the highest flexibility. However, upon inclusion of HC, 3-MeβCD, 2,3-D-MeβCD, 2-MeβCD, and 6-MeβCD showed a significant reduction in flexibility, suggesting a more rigid structure that effectively retains HC within their cavities. The radial distribution function revealed a significant reduction in the number of water molecules within the innermost layer of the methylated CD cavities, particularly in TMeβCD, indicating a decrease in polarity. The presence of HC led to the release of high-energy water molecules, creating more favorable conditions for HC loading. Conformational analysis showed that methylation caused a partial decrease in the area of the PHR, a significant decrease in the area of the middle rim, and a notable decrease in the area of the SHR. The loading of HC increased the area of the PHR in most derivatives, with the most pronounced increase observed in 2,6-D-MeβCD and 6-MeβCD. The analysis of interaction energies and binding free energies demonstrated that the binding of HC to methylated CD derivatives is thermodynamically more favorable than to βCD, with the strongest association observed for 6-MeβCD, 2-MeβCD, and 2,3-D-MeβCD.

Effects of polysaccharides on colonic targeting and colonic fermentation of ovalbumin-ferulic acid based emulsion

Rutin is a polyphenol with beneficial pharmacological properties. However, its bioavailability is often compromised due to low solubility and poor stability. Encapsulation technologies, such as emulsion systems, have been proven to be promising delivery vehicles for enhancing the bioavailability of bioactive compounds. Thus, this study was proposed and designed to investigate the colonic targeting and colonic fermentation characteristics of rutin-loaded ovalbumin-ferulic acid-polysaccharide (OVA-FA-PS) complex emulsions. The results indicate that OVA-FA-PS emulsion effectively inhibits the degradation of rutin active substances and facilitates its transport of rutin to the colon. The analysis revealed that the OVA-FA-κ-carrageenan emulsion loaded with rutin exhibited superior elasticity and colon targeting properties compared to the OVA-FA-hyaluronic acid or OVA-FA-sodium alginate emulsions loaded with rutin in the composite emulsion. Additionally, it was observed that the rutin loaded within the OVA-FA-κ-carrageenan emulsion underwent degradation and was converted to 4-hydroxybenzoic acid during colonic fermentation.

Performance of β-carotene-loaded nanostructured lipid carriers under dynamic in vitro digestion system: Influence of the emulsifier type.

A better understanding of how emulsifier type could differently influence the behavior of nanostructured lipid carriers (NLC) under the gastrointestinal digestion process, as well as at the cellular level, is of utmost importance for the NLC-based formulations' optimization and risk assessment in the food field. In this study, NLC composed by fully hydrogenated soybean and high-oleic sunflower oils were prepared using soy lecithin (NLC Lβ) or Tween 80 (NLC Tβ) as an emulsifier. β-Carotene was entrapped within NLC developed as a promising strategy to overcome β-carotene's low bioavailability and stability. The effect of emulsifier type on the digestibility of β-carotene-loaded NLC was evaluated using an in vitro dynamic digestion model mimicking peristalsis motion. The influence of β-carotene-loaded NLC on cell viability was assessed using Caco-2 cells in vitro. NLC Tβ remained stable in the gastric compartment, presenting particle size (PS) similar to the initial NLC (PS: 245.68 and 218.18nm, respectively), while NLC Lβ showed lower stability (PS>1000nm) in stomach and duodenum phases. NLC Tβ also provided high β-carotene protection and delivery capacity (i.e., β-carotene bioaccessibility increased 10-fold). Based on the results of digestion studies, NLC Tβ has shown better physical stability during the passage through the in vitro dynamic gastrointestinal system than NLC Lβ. Moreover, the developed NLC did not compromise cell viability up to 25µg/mL of β-carotene. Thus, the NLC developed proved to be a biocompatible structure and able to incorporate and protect β-carotene for further food applications. PRACTICAL APPLICATION: The findings of this study hold significant implications for industrial applications in terms of developing nanostructured lipid carriers from natural raw materials widely available and used to produce other lipid-based products in the food industry, as an alternative to synthetic ones. In this respect, the β-carotene-loaded NLC developed in this study would find a great industrial application in the food industry, which is in constant search to develop functional foods capable of increasing the bioavailability of bioactive compounds.

Protein tyrosine phosphatase 1B (PTP1B) function, structure, and inhibition strategies to develop antidiabetic drugs.

Tyrosine protein phosphatase non-receptor type 1 (PTP1B; also known as protein tyrosine phosphatase 1B) is a member of the protein tyrosine phosphatase (PTP) family and is a soluble enzyme that plays an essential role in different physiological processes, including the regulation of metabolism, specifically in insulin and leptin sensitivity. PTP1B is crucial in the pathogenesis of type 2 diabetes mellitus and obesity. These biological functions have made PTP1B validated as an antidiabetic and anti-obesity, and potentially anticancer, molecular target. Four main approaches aim to inhibit PTP1B: orthosteric, allosteric, bidentate inhibition, and PTPN1 gene silencing. Developing a potent and selective PTP1B inhibitor is still challenging due to the enzyme's ubiquitous expression, subcellular location, and structural properties. This article reviews the main advances in the study of PTP1B since it was first isolated in 1988, as well as recent contextual information related to the PTP family to which this protein belongs. Furthermore, we offer an overview of the role of PTP1B in diabetes and obesity, and the challenges to developing selective, effective, potent, bioavailable, and cell-permeable compounds that can inhibit the enzyme.