Enhancing the bioavailability and antioxidant activity of natamycin E235-ferulic acid loaded polyethylene glycol/carboxy methyl cellulose films as anti-microbial packaging for food application.

This study investigated the development of biodegradable films made from a combination of polyethylene glycol (PEG), carboxymethyl cellulose (CMC) and mixtures from natamycin and ferulic acid. The films were characterized for their surface microstructure, antioxidant activity, thermal stability, mechanical properties, permeability and antifungal/bacterial activity. The addition of natamycin and ferulic acid to the film matrix enhanced antioxidant activity, thermal stability, antimicrobial activity, reduced the water vapor permeability (WVP) to 1.083 × 10-10 g × m-1s-1Pa-1, imparted opaque color and increased opacity up to 3.131 A mm-1. The attendance of natamycin and ferulic acid inside films created a clear roughness shape with agglomerates on the surface of films and caused a clear inhibition zone for Aspergillus niger, E. coli and C. botulinum. The utilization of PG/CMC/N-F packaging material on Ras cheese had a noticeable effect, resulting in a slight decrease in moisture content from 34.23 to 29.17 %. Additionally, it helped maintain the titrable acidity within the range of 0.99 % to 1.11 % and the force required for puncture from 0.035 to 0.052 N with non-significant differences. Importantly, these changes did not significantly affect the sensory qualities of Ras cheese during the storage period.

SuperNatural inhibitors to reverse multidrug resistance emerged by ABCB1 transporter: Database mining, lipid-mediated molecular dynamics, and pharmacokinetics study.

An effective approach to reverse multidrug resistance (MDR) is P-glycoprotein (P-gp, ABCB1) transport inhibition. To identify such molecular regulators, the SuperNatural II database, which comprises > 326,000 compounds, was virtually screened for ABCB1 transporter inhibitors. The Lipinski rule was utilized to initially screen the SuperNatural II database, identifying 128,126 compounds. Those natural compounds were docked against the ABCB1 transporter, and those with docking scores less than zosuquidar (ZQU) inhibitor were subjected to molecular dynamics (MD) simulations. Based on MM-GBA binding energy (ΔGbinding) estimations, UMHSN00009999 and UMHSN00097206 demonstrated ΔGbinding values of -68.3 and -64.1 kcal/mol, respectively, compared to ZQU with a ΔGbinding value of -49.8 kcal/mol. For an investigation of stability, structural and energetic analyses for UMHSN00009999- and UMHSN00097206-ABCB1 complexes were performed and proved the high steadiness of these complexes throughout 100 ns MD simulations. Pharmacokinetic properties of the identified compounds were also predicted. To mimic the physiological conditions, MD simulations in POPC membrane surroundings were applied to the UMHSN00009999- and UMHSN00097206-ABCB1 complexes. These results demonstrated that UMHSN00009999 and UMHSN00097206 are promising ABCB1 inhibitors for reversing MDR in cancer and warrant additional in-vitro/in-vivo studies.

Enhancement of the quality attributes and health benefits synbiotic yoghurt from cow's milk.

The present work delighted on extraction of galactomannan polysaccharide from guar gum beans and microbial galactomannan source. Effect of replacing non-fat dry milk that used to fortify cow's milk in yoghurt industry with the two extracted galactomannans and commercial galactomannan as food additives was studied. Control yoghurt treatment was made from 3.0% fat cow's milk that was fortified with 1.5% non-fat dry milk. Another 6 yoghurt treatmentwas fortified with 0.15, 0.25% of commercial, guar and microbial galactomannan respectively. All treatments were cultured with the probiotic starter (1.0% Streptococcus thermophilus + 1.0% Lactobacillus delbrueckii subsp. Bulgaricus + 1.0% Bifidobacteriumbifidum). The obtained results indicated that yoghurt supplementation with the three types of galactomannans increased the acidity, curd tension, total solids content, decreased pH values and syneresis of yoghurt treatments. Control yoghurt and commercial galactomannan yoghurt were not significantly different from the corresponding batches those made with either guar galactomannan and microbial galactomannan in fat, protein and ash content. Yoghurt treatments which supplemented with the three types of galactomannans have higher bifidobacteria counts and organoleptic scores than the control treatment yoghurt.

Composite films based on carboxy methyl cellulose and sodium alginate incorporated Thymus vulgaris purified leaves extract for food application: Assessment, antimicrobial and antioxidant properties.

The current study was conducted to develop biodegradable films with matrix composed from carboxymethyl cellulose (CMC), sodium alginate (SA) and different concentrations from Thymus vulgaris purified leaves extract (TVE). The color properties, physical properties, shape of surface, manners of crystallinity, mechanical properties and thermal properties of produced films were investigated. The continuous addition of TVE up to 1.6 % inside films matrix imparted the yellow color of extract that increased opacity to 2.98 and reduced moisture, swelling, solubility and water vapor permeability (WVP) of films up to 10.31 %, 30.17 %, 20.18 % and (1.12× 10-10 g.m-1 s-1 pa-1), respectively. Furthermore, the surface micrographs showed smoother surface after using small concentrations of TVE and turned to irregular with rough surface at higher concentrations. The FT-IR analysis indicated typically bands that demonstrated physical interaction between TVE extract and CMC/SA matrix. The fabricated films showed suitable thermal stability with decreasing trend by incorporation of TVE inside CMC/SA films. Furthermore, the developed CMC/SA/TVE2 showed significant effects on preserving the levels of moisture content, titrable acidity, force to puncture and sensory properties of cheddar cheese during cold storage days compared with commercial packaging materials.

Chetomin, a SARS-CoV-2 3C-like Protease (3CLpro) Inhibitor: In Silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis.

The emergence of the Coronavirus Disease 2019 (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has led to over 6 million deaths. The 3C-like protease (3CLpro) enzyme of the SARS-CoV-2 virus is an attractive druggable target for exploring therapeutic drug candidates to combat COVID-19 due to its key function in viral replication. Marine natural products (MNPs) have attracted considerable attention as alternative sources of antiviral drug candidates. In looking for potential 3CLpro inhibitors, the MNP database (>14,000 molecules) was virtually screened against 3CLpro with the assistance of molecular docking computations. The performance of AutoDock and OEDocking software in anticipating the ligand-3CLpro binding mode was first validated according to the available experimental data. Based on the docking scores, the most potent MNPs were further subjected to molecular dynamics (MD) simulations, and the binding affinities of those molecules were computed using the MM-GBSA approach. According to MM-GBSA//200 ns MD simulations, chetomin (UMHMNP1403367) exhibited a higher binding affinity against 3CLpro than XF7, with ΔGbinding values of −55.5 and −43.7 kcal/mol, respectively. The steadiness and tightness of chetomin with 3CLpro were evaluated, revealing the high stabilization of chetomin (UMHMNP1403367) inside the binding pocket of 3CLpro throughout 200 ns MD simulations. The physicochemical and pharmacokinetic features of chetomin were also predicted, and the oral bioavailability of chetomin was demonstrated. Furthermore, the potentiality of chetomin analogues −namely, chetomin A-D− as 3CLpro inhibitors was investigated. These results warrant further in vivo and in vitro assays of chetomin (UMHMNP1403367) as a promising anti-COVID-19 drug candidate.

Naturally occurring plant-based anticancerous candidates as prospective ABCG2 inhibitors: an in silico drug discovery study.

ATP-binding cassette transporter G2 (ABCG2) is an efflux transporter related to the clinical multidrug resistance (MDR) phenomenon. Identifying ABCG2 inhibitors could help discover extraordinary curative strategies for carcinoma remediation. Hitherto, there is no medication drug inhibiting ABCG2 transporter, notwithstanding that a considerable number of drugs have been submitted to clinical-trial and investigational phases. In the search for unprecedented chemical compounds that could inhibit the ABCG2 transporter, an in silico screening was conducted on the Naturally Occurring Plant-based Anticancer Compound-Activity-Target (NPACT) database containing 1574 compounds. Inhibitor-ABCG2 binding affinities were estimated based on molecular docking and molecular minimization (MM) calculations and compared to a co-crystallized inhibitor (BWQ) acting as a reference inhibitor. Molecular dynamics (MD) simulations pursued by molecular mechanics-generalized Born surface area (MM-GBSA) binding energy estimations were further executed for compounds with MM-GBSA//MM binding energies lower than BWQ (calc. - 60.5 kcal/mol). NPACT00968 and NPACT01545 demonstrated auspicious inhibitory activities according to binding affinities (ΔGbinding) over the 100 ns MD simulations that were nearly one and a half folds compared to BWQ (- 100.4, - 94.7, and - 62.9 kcal/mol, respectively). Throughout the 100 ns MD simulations, structural and energetical analyses unveiled outstanding stability of the ABCG2 transporter when bound with NPACT00968 and NPACT01545. In silico calculations hold a promise for those two inhibitors as drug candidates of ABCG2 transporter and emphasize that further in vitro and in vivo experiments are guaranteed.

Protective efficacy using Cape- golden berry against pre-carcinogenic aflatoxins induced in rats.

Aflatoxins are harmful compounds that induced carcinogenic impacts on tissues. It could generate oxidative stress causing cells damage. Bioactive substances from natural plants could avoid mycotoxins' bad impacts. Cape-goldenberry (CGB), a source of active substances, was vacuum-dried at 30 °C then milled. Fresh and dried CGB-powder properties were estimated. Animal experiment was designed using six rat-groups to evaluate CBG effect to reduce harmful effect of aflatoxins. Rats treated groups were orally administrated by aflatoxins (AFs) with or without CGB in diets. Blood parameters, liver and kidney functions, serum lipids, and liver histological changes were estimated. The CGB powder showed several time doubles of phenolics, flavonoids, and antioxidants than fresh fruits. Diet supplementation by CGB of AFs-treated rats showed enhancement in final weight, food efficiency, and weight gain compared to AFs treatment only. Also, liver and kidney functions, liver enzymes, iron level, tumors indicator, and serum lipids of AFs- rats. Moreover, total protein, albumin, and globulin reduction by AFs have been improved by CGB presence in diets. Histopathological studies for AFs-rats liver showed dilated blood sinusoids with aggregation of inflammatory, Kupffer cell hyperplasia, degenerated hepatocytes, and apoptotic cells. However, in AFs-rat groups fed CGB in diets, liver hepatocytes appeared to be almost normal similar to the control. Results pointed out that CGB recorded a corrective action for aflatoxin B1 and G1 toxicity. This was recorded for the blood and serum parameters, and liver enzymes. This CGB action avoiding AFs-toxicity was more clearly declared in the liver tissues.

Enhancing the pro-health and physical properties of ice cream fortified with concentrated golden berry juice.

BACKGROUND: Ice cream is a product rich in calories, due to its high carbohydrate, protein, and fat contents, but poor in antioxidants, fibers, and vitamins. The golden berry is a fruit rich in phenols, fibers, minerals, and vitamins. This study was carried out to improve the functional properties of ice cream by incorporating concentrated golden berry juice (CGBJ) in its formulation. METHODS: The fresh juice of mature golden berries was concentrated (41.01% total solids) and added at the level of 0, 3, 6 and 10% respectively to the ice cream formulations. RESULTS: The CGBJ contained a high level of total soluble solids (37.69 Brix), total phenolic compounds (21.31 mg TAE/100 g) and ascorbic acid (97.15 mg/100 g). It was also rich in some elements, including K (1522.8 mg/100 g), Fe (9.49 mg/100 g) and Zn (3.05 mg/100 g). The antioxidant activity of CGBJ measured using DPPH and ABTS methods were 440.4 and 420.4 μg TE/g, respectively. The acidity, surface tension, and apparent viscosity of the ice cream mixture increased, but the pH value and freezing point decreased as the level of CGBJ in the formulation increased. The addition of 6% CGBJ improved both the whipping ability and overrun of the ice cream with more acceptability and quality. Inversely, ice cream containing 10% CGBJ had the lowest overrun and melting properties, while also having the highest fat destabilization compared to any other ice cream. CONCLUSIONS: The physical and sensory properties of ice cream can be improved by adding CGBJ up to 6%. In addition, CGBJ can be used to produce a functional ice cream rich in bioactive components including antioxidants, vitamins, and some elements.