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1.
Environ Sci Pollut Res Int ; 28(30): 40507-40514, 2021 Aug.
Article in English | MEDLINE | ID: covidwho-2113733

ABSTRACT

After the early advent of the Coronavirus Disease 2019 (COVID-19) pandemic, myriads of FDA-approved drugs have been massively repurposed for COVID-19 treatment based on molecular docking against selected protein targets that play fundamental roles in the replication cycle of the novel coronavirus. Honeybee products are well known of their nutritional values and medicinal effects. Bee products contain bioactive compounds in the form of a collection of phenolic acids, flavonoids, and terpenes of natural origin that display wide spectrum antiviral effects. We revealed by molecular docking the profound binding affinity of 14 selected phenolics and terpenes present in honey and propolis (bees glue) against the main protease (Mpro) and RNA-dependent RNA polymerase (RdRp) enzymes of the novel SARS-CoV-2 virus (the causative agent of COVID-19) using AutoDock Vina software. Of these compounds, p-coumaric acid, ellagic acid, kaempferol, and quercetin have the strongest interaction with the SARS-CoV-2 target enzymes, and it may be considered an effective COVID-19 inhibitor.


Subject(s)
COVID-19 , Coronavirus Infections , Animals , Antiviral Agents/pharmacology , Bees , COVID-19/drug therapy , Coronavirus Infections/drug therapy , Humans , Molecular Docking Simulation , SARS-CoV-2
2.
Acs Food Science & Technology ; 1(10):1776-1786, 2021.
Article in English | Web of Science | ID: covidwho-2106317

ABSTRACT

Mango processing waste (MPW) is an inexpensive and rich source of valuable substances. Hence, the mango kernel powder (MKP) from four cultivars (Chausa, Neelum, Barahmasi, and Dashehari) was characterized for the selection of the best cultivar. The MKP of the best cultivar (Dashehari) was analyzed for the profiling of polyphenols using LC-MS/MS in both modes of ionization (positive and negative) and indicated the presence of 50 compounds with specific retention times. After identification, gallic acid (GA), an important industrial compound, was targeted and purified followed by its confirmation using NMR (600 MHz) and HRMS. The antioxidant activity (IC50: 1.96 mu g/mL) of extracted GA proposes its use as a natural antioxidant in novel food formulations. Additionally, SARS-CoV-2 main protease (M-pro) was selected for molecular docking based virtual screening of seven major polyphenols (MKP), and the results were compared with hydroxychloroquine. The docking scores of targeted polyphenols revealed that three compounds (epicatechin, mangiferin, and quercetin) exhibited appreciable proteolytic activity against M-pro. In this way, it is a favorable approach toward environmental safety on the standpoint of green chemistry owing to the use of food processing waste and elimination of the waste dumping/composting problems.

3.
Open Life Sci ; 17(1): 1075-1093, 2022.
Article in English | MEDLINE | ID: covidwho-2032664

ABSTRACT

Plant-based foods are becoming an increasingly frequent topic of discussion, both scientific and social, due to the dissemination of information and exchange of experiences in the media. Plant-based diets are considered beneficial for human health due to the supply of many valuable nutrients, including health-promoting compounds. Replacing meat-based foods with plant-based products will provide many valuable compounds, including antioxidants, phenolic compounds, fibers, vitamins, minerals, and some ω3 fatty acids. Due to their high nutritional and functional composition, plant-based foods are beneficial in acute and chronic diseases. This article attempts to review the literature to present the most important data on nutrients of plant-based foods that can then help in the prevention of many diseases, such as different infections, such as coronavirus disease, pneumonia, common cold and flu, asthma, and bacterial diseases, such as bronchitis. A properly structured plant-based diet not only provides the necessary nutrients but also can help in the prevention of many diseases.

4.
Sustainability ; 14(17):10862, 2022.
Article in English | ProQuest Central | ID: covidwho-2024206

ABSTRACT

The waste generated by small-scale ultra-fresh juice producers, such as bistros and restaurants, has been little studied so far, mainly because it is unevenly distributed and dissipated in the economic ecosystem and would require high costs associated with transportation and subsequent recovery of bio composites. The present article seeks to offer solutions by providing sustainable methods to reduce their waste losses to a minimum and transform them into valuable products, with affordable equipment and techniques. The study focuses on the preliminary phase of quantitative analysis of fruit and vegetable by-products generated on a small scale, the results showing a mean 55% productivity in fresh juices. Due to the high amount of remnant water content in waste, a new process of mechanically pressing the resulting squeezed pulp was introduced, generating an additional yield in juice, ranging from 3.98 to 51.4%. Due to the rising trend in healthier lifestyle, the by-products were frozen or airdried for conservation in each of the processing stages, and the total phenolic compounds and antioxidant activity were analyzed in order to assess the traceability of these bioactive compounds to help maximize their transfer into future final products. The polyphenols transferred into by-products varied between 7 and 23% in pulps and between 6 and 20% in flours. The highest DPPH potential was found in flours, up to three-fold in comparison with the raw material, but the high dry substance content must be accounted for. The results highlight the potential of reusing the processing waste as a reliable source of bioactive compounds.

5.
Applied Sciences ; 12(16):8361, 2022.
Article in English | ProQuest Central | ID: covidwho-2023103

ABSTRACT

In the current market, there is a growing interest in traditional herbal nutraceuticals. Therefore, herbal formulations have re-emerged as products with sought-after nutraceutical and disease-preventing properties. The health-promoting effects of herbal bioactives are attributed to the active phytoconstituents of these plants. Thus, the aim of the present study was to evaluate the putative nutraceutical effectiveness of the preparations of ten herbs (chamomile, purple coneflower, lemon verbena, pennyroyal, spearmint, oregano, marjoram, headed savory, sea buckthorn, and St. John’s wort) by combining in silico techniques and LC-MS/MS analysis. The binding potential of the selected phenolic compounds, according to literature and web databases, was investigated by using molecular target prediction tools. Aldose reductase (AR), an enzyme of polyol pathway which is related to hyperglycemic-induced pathologies, emerged as the most promising molecular target. The molecular docking results showed that rosmarinic acid, caftaric acid, naringenin, and quercetin presented the highest binding affinity. In a further step, the phytochemical profile of the examined infusions, obtained by LC-MS/MS analysis, revealed that the abovementioned compounds were present, mainly in the herbs of the Lamiaceae family, designating headed savory as the herbal infusion with possible significant inhibitory activity against AR.

6.
J King Saud Univ Sci ; 34(8): 102283, 2022 Nov.
Article in English | MEDLINE | ID: covidwho-2004246

ABSTRACT

Coronavirus (covid-19) infection is considered to be deadliest ever pandemic experienced by the human being. It has very badly affected the socio-economic health of human and stuck the scientific community to think and rethink about its complete eradication. But due to no effective treatment or unavailability of vaccine the health professional could not show any significant improvement to control the pandemic. The situation needs newer molecule, vaccine or effective treatment to control covid-19 infection. Different target in viruses has been explored and proteases enzymes were found to be therapeutically effective target for the design of potential anti-covid-19 molecule as it plays the vital role in viral replication and assembly. Structure-based drug design was employed to discover the small molecule of anti-covid-19. Here we considered the small library of naturally occurring polyphenolic compounds and molecular docking, Molecular dynamics (MD) simulations, free binding energy calculation and in-silico ADME calculations to identify the newer HITs. Based upon their score the two molecules were identified as promising candidate. The docking scores were found to be -7.643 and -7.065 for the HIT1 and HIT-2 respectively. In MD simulations study the RMSD values were found to be 4.3 Å & 4.9 Å respectively. To validate these results MM-GBSA was performed and their binding free energies were computationally determined. The prime energy values of identified HITs (-13412.45 & -13441.8 kJ/mole) were found to be very close proximity to reference molecule (-13493.05 kJ/mole). Then in-silico ADME calculations were performed to calculate the drug likeliness identified HITs. BY considering all the values comparative to reference molecule and obtained in-silico pharmacokinetic properties of identified HITs we can suggest that HIT-1 and HIT-2 would be the most promising molecules that can inhibit the main protease enzyme of covid-19. These two molecules would become the potential drug candidate for the treatment of covid-19 infections.

7.
IOP Conference Series. Earth and Environmental Science ; 977(1):012034, 2022.
Article in English | ProQuest Central | ID: covidwho-1948112

ABSTRACT

Wheat and rice are plants that contain many health benefits, such as chlorophyll, protein and phenolic compounds, which are very suitable for consumption during the current COVID-19 pandemic. This study aims to observe the growth response of wheat and rice with various types of growing media. The use of the right planting media is expected to provide good content for wheat and rice plants so that they can be used as health drinks that are good for consumption. This study used a factorial completely randomized design using two factors, where : factor I = plant species with T1 (wheat) and T2 (rice) and factor II = type of growing media with P0 (top soil), P1 (top soil: husk charcoal). ) (1:1), P2 (top soil:cocopeat) (1:1), P3 (top soil:sawdust) (1:1) and P4 (top soil:husk charcoal:cocopeat:sawdust) (1:1:1:1). The results of this study indicate that the highest plant height data was obtained from rice plants with an average top soil planting medium of 18.13 cm. The highest protein content was found in wheat with top soil growing media: sawdust with a yield of 2.20 L/g. So it can be said that wheat can be used as a health drink because it contains high protein.

8.
Molecules ; 27(9)2022 May 02.
Article in English | MEDLINE | ID: covidwho-1875712

ABSTRACT

Hydroxylated polyphenols, also called flavonoids, are richly present in vegetables, fruits, cereals, nuts, herbs, seeds, stems, and flowers of numerous plants. They possess numerous medicinal properties such as antioxidant, anti-cancer, anti-microbial, neuroprotective, and anti-inflammation. Studies show that flavonoids activate antioxidant pathways that render an anti-inflammatory effect. They inhibit the secretions of enzymes such as lysozymes and ß-glucuronidase and inhibit the secretion of arachidonic acid, which reduces inflammatory reactions. Flavonoids such as quercetin, genistein, apigenin, kaempferol, and epigallocatechin 3-gallate modulate the expression and activation of a cytokine such as interleukin-1beta (IL-1ß), Tumor necrosis factor-alpha (TNF-α), interleukin-6 (IL-6), and interleukin-8 (IL-8); regulate the gene expression of many pro-inflammatory molecules such s nuclear factor kappa-light chain enhancer of activated B cells (NF-κB), activator protein-1 (AP-1), intercellular adhesion molecule-1 (ICAM), vascular cell adhesion molecule-1 (VCAM), and E-selectins; and also inhibits inducible nitric oxide (NO) synthase, cyclooxygenase-2, and lipoxygenase, which are pro-inflammatory enzymes. Understanding the anti-inflammatory action of flavonoids provides better treatment options, including coronavirus disease 2019 (COVID-19)-induced inflammation, inflammatory bowel disease, obstructive pulmonary disorder, arthritis, Alzheimer's disease, cardiovascular disease, atherosclerosis, and cancer. This review highlights the sources, biochemical activities, and role of flavonoids in enhancing human health.


Subject(s)
COVID-19 , Flavonoids , Anti-Inflammatory Agents/adverse effects , Antioxidants/adverse effects , Flavonoids/chemistry , Flavonoids/pharmacology , Flavonoids/therapeutic use , Humans , Inflammation/drug therapy , NF-kappa B/metabolism , Tumor Necrosis Factor-alpha/pharmacology
9.
International Journal of Microbiology ; 2022, 2022.
Article in English | ProQuest Central | ID: covidwho-1871145

ABSTRACT

The antimicrobial potential of Aspergillus sp., isolated from the Amazon biome, which is stored at the Amazon Fungi Collection-CFAM at ILMD/FIOCRUZ, was evaluated. The fungal culture was cultivated in yeast extract agar and sucrose (YES) for cold extraction of the biocompounds in ethyl acetate at 28 °C for 7 days in a BOD type incubator. The obtained extract was evaluated for its antimicrobial activity against Candida albicans and Gram-positive and negative bacteria by the “cup plate” method and the determination of the minimum inhibitory concentration (MIC) by the broth microdilution method. The extract was subjected to thin layer chromatography (TLC) and fractionated by open and semipreparative column chromatography. The fractions of interest had their chemical constituents elucidated by nuclear magnetic resonance and mass spectrometry. The elucidated molecule was evaluated for cytotoxicity against the human fibroblast strain (MRC5). The extract presented inhibitory activity against both Gram-positive and negative bacteria, with the range of inhibition halos from 5.3 to 14 mm in diameter and an MIC ranging from 500 to 15.6 μg/mL. Seventy-one fractions were collected and TLC analysis suggested the presence of substances with double bond groups: coumarins, flavonoids, phenolic, alkaloids, and terpenes. NMR and MS analyses demonstrated that the isolated molecule was kojic acid. The results of the cytotoxicity test showed that MRC5 cells presented viability at concentrations from 500 to 7.81 μg/mL. The kojic acid molecule of Aspergillus sp., with antibacterial activity and moderate toxicity at the concentrations tested, is a promising prototype of an alternative active principle of an antimicrobial drug.

10.
J Funct Foods ; 94: 105123, 2022 Jul.
Article in English | MEDLINE | ID: covidwho-1867362

ABSTRACT

Since the outbreak of COVID-19 disease, medical and scientific communities are facing a challenge to contain its spread, develop effective treatments, and reduce its sequelae. Together with the therapeutical treatments, the use of dietary bioactive compounds represents a promising and cost-effective strategy to modulate immunological responses. Amazonian oilseeds are great sources of bioactive compounds, thus representing not only a dietary source of nutrients but also of substances with great interest for human health. This narrative review compiled the available evidence regarding the biochemical properties of some Amazonian oilseeds, especially Brazil nut, Açaí berry, Bacaba, Peach palm, Sapucaya and Tucuma fruits, on human health and its immune system. These effects were discussed from an etiological and pathophysiological perspective, emphasizing their potential role as a co-adjuvant strategy against COVID-19. Besides this, the cost associated with these strategies hinders their applicability in many nations, especially low-income countries and communities living in social insecurity.

11.
Current Research in Nutrition and Food Science ; 9(3):855-865, 2021.
Article in English | CAB Abstracts | ID: covidwho-1856348

ABSTRACT

The present pandemic situation has increased the demand for plant-based functional foods that enhancing the immunity of all aged groups against COVID-19. This factor has led to innovation in confectionery market because healthy and good quality confectionery products are lacking. In this study, an attempt has been made to develop functional candy from various combinations of banana, ginger, skim milk powder, and honey at 2-10% and evaluated its sensory, nutraceutical, functional properties and microbial stability for 60 days. Among various combinations of banana and ginger pulp, candy prepared from 96:6 w/w (banana: ginger) ratio was found better than other combinations in respect to organoleptic and nutritional quality. Ginger and skim milk powder addition increased the contents of protein (4.54%), ash (2.82%), phenolic (8.59 mgGAE/g), flavonoid (2.43 mQ/g), and antioxidant activity (36.15% DPPH activity) of functional candy. Microbial studies of functional candy revealed it could be stored up to 60 days without microbial contamination and acceptable by the consumer. The cost of functional candy was Rs.1.53 per candy, which was less than market candy. This study showed that candy manufactured from banana, ginger, skim milk powder, and honey was nutritionally and economical improved with acceptable sensory properties. Developed functional candy increases the market's revenue and enables confectionary market to develop a new candy type.

12.
Molecules ; 27(9):2907, 2022.
Article in English | ProQuest Central | ID: covidwho-1842906

ABSTRACT

This study aimed to evaluate the phenolic profile and biological activity of the extracts from the leaves and fruits of Cotoneaster nebrodensis and Cotoneaster roseus. Considering that miscellaneous species of Cotoneaster are thought to be healing in traditional Asian medicine, we assumed that this uninvestigated species may reveal significant therapeutic properties. Here, we report the simultaneous assessment of chemical composition as well as biological activities (antioxidant, anti-inflammatory, antibacterial, and cytotoxic properties) of tested species. Complementary LC-MS analysis revealed that polyphenols (especially flavonoids and proanthocyanidins) are the overriding phytochemicals with the greatest significance in tested biological activities. In vitro chemical tests considering biological activities revealed that obtained results showed different values depending on concentration, extraction solvent as well as phenolic content. Biological assays demonstrated that the investigated extracts possessed antibacterial properties and were not cytotoxic toward normal skin fibroblasts. Given the obtained results, we concluded that knowledge of the chemical composition and biological activities of investigated species are important to achieve a better understanding of the utilization of these plants in traditional medicine and be useful for further research in their application to treat various diseases, such as skin disorders.

13.
Journal of Drug Delivery and Therapeutics ; 12(2):87-99, 2022.
Article in English | CAB Abstracts | ID: covidwho-1841785

ABSTRACT

Plant Based Natural Products (PBNPs) have been subject of interest since ancient time due to their use in food, industrial and biomedical applications. Research attention has further augmented to explore their phytochemical composition, properties, and potential application in the post-COVID era. In the present study phytochemical screening has been carried out with Methanolic Leaf Extracts of Moringa oleifera (MLEMO) followed by Gas Chromatography-Mass Spectrometry (GCMS) analysis. Phytochemical analysis of MLEMO revealed the presence of Alkaloids, Carbohydrates, Coumarins, Flavonoids, Glycosides, Phenol, Proteins, Quinones, Saponins, Steroids, Tannins and Terpenoids. Further, GCMS analysis revealed the presence of 41 compounds of which Dihydroxyacetone;Monomethyl malonate;4H-Pyran-4-one,2,3-dihydro- 3,5-dihydroxy-6-methyl;1,3-Propanediol, 2-ethyl-2-(hydroxymethyl);Propanoic acid, 2- methyl-, octyl ester;3-Deoxy-d-mannoic lactone;Sorbitol;Inositol;Cyclohexanemethanol, alpha-methyl-4-(1-methylethyl), Hexadecanoic acid, Methyl palmitate;n-Hexadecanoic acid (Palmitic acid);9-Octadecenoic acid, methyl ester;Phytol;9,12,15-Octadecatrienoic acid;Octadecanoic acid;9-Octadecenamide were prominent. Most of the compounds in the list are bioactive and possess medicinal properties that are expected to serve as a baseline lead for the development of therapeutic agents.

14.
Foods ; 11(9):1177, 2022.
Article in English | ProQuest Central | ID: covidwho-1837981

ABSTRACT

The purpose of this research was to develop formulations of chewing candies (CCs) in a sustainable manner by using berry by-products in combination with antimicrobial lactic acid bacteria (LAB) strains. To implement this aim, the optimal quantities of by-products from lyophilised raspberry (Rasp) and blackcurrant (Bcur) from the juice production industry were selected. Prior to use, Lactiplantibacillus plantarum LUHS135, Liquorilactobacillus uvarum LUHS245, Lacticaseibacillus paracasei LUHS244, and Pediococcus acidilactici LUHS29 strains were multiplied in a dairy industry by-product—milk permeate (MP). The antimicrobial activity of the selected ingredients (berry by-products and LAB) was evaluated. Two texture-forming agents were tested for the CC formulations: gelatin (Gl) and agar (Ag). In addition, sugar was replaced with xylitol. The most appropriate formulation of the developed CCs according to the product’s texture, colour, total phenolic compound (TPC) content, antioxidant activity, viable LAB count during storage, overall acceptability (OA), and emotions (EMs) induced in consumers was selected. It was established that the tested LAB inhibited three pathogens out of the 11 tested, while the blackcurrant by-products inhibited all 11 tested pathogens. The highest OA was shown for the CC prepared with gelatin in addition to 5 g of Rasp and 5 g of Bcur by-products. The Rasp and LUHS135 formulation showed the highest TPC content (147.16 mg 100 g−1 d.m.), antioxidant activity (88.2%), and LAB count after 24 days of storage (6.79 log10 CFU g−1). Finally, it was concluded that Gl, Rasp and Bcur by-products, and L. plantarum LUHS135 multiplied in MP are promising ingredients for preparing CCs in a sustainable manner;the best CC formula consisted of Gl, Rasp by-products, and LUHS135 and showed the highest OA (score 9.52) and induced the highest intensity of the EM ‘happy’ (0.231).

15.
J Oleo Sci ; 71(4): 587-597, 2022.
Article in English | MEDLINE | ID: covidwho-1835530

ABSTRACT

In this study, we investigated the inhibition effects of matairesinol, pregnanolone, hamamelitannin, secoisolariciresinol, and secoisolariciresinol diglicoside compounds on HMG-CoA reductase and urease enzymes. We have obtained results for the HMG-CoA reductase enzyme at the millimolar level, and for the urease enzyme at the micromolar level. Molecular docking calculations were made for their biological activities were compared. In docking calculations, proteins of experimentally used enzymes, activities of SARS-CoV-2 virus against RNA-dependent RNA polymerase (RdRp) protein, and anti-oxidant protein were compared. Then, ADME/T calculations were made to use the molecules as drugs. Cytotoxicity potential of these complexes against human breast and prostate cancers demonstrated that these compounds had good cytotoxic effects. There is growing attention to phenolic molecules and their presumed role in avoiding diverse degenerative diseases, such as cardiovascular and cancer diseases.


Subject(s)
COVID-19 , Prostatic Neoplasms , COVID-19/drug therapy , Cell Line , Humans , Male , Molecular Docking Simulation , Prostatic Neoplasms/drug therapy , SARS-CoV-2
16.
Nutrients ; 14(7)2022 Mar 26.
Article in English | MEDLINE | ID: covidwho-1834852

ABSTRACT

Patients affected by coronavirus disease 2019 (COVID-19) demonstrate a range of hemostasis dysfunctions, such as coagulation dysfunction and changes in blood platelet function, this being a major cause of death. These complications may also be associated with oxidative stress. Recently, various papers, including some reviews, have suggested that the use of dietary bioactive compounds, including phenolic compounds, may play a significant role in the treatment of COVID-19. However, while some phenolic compounds, such as curcumin, resveratrol, myricetin and scutellarian, have been found to have antiviral effects against COVID-19, recommendations regarding the use of such compounds to prevent or reduce the risk of CVDs during COVID-19 infection remain tentative. The present mini-review examines the antioxidant, anti-platelet and anticoagulant and antiviral activities of selected phenolic compounds and the possible implications for their use in treating CVDs associated with COVID-19. This review also examines whether these phenolic compounds can be promising agents in the modulation of hemostasis and CVDs during COVID-19. While their properties have been well documented in various in vitro and in vivo studies, particularly their positive role in the prophylaxis and treatment of CVDs, less is known regarding their prophylactic potential against CVDs during COVID-19, and no credible evidence exists for their efficiency in humans or animals. In such cases, no in vitro or in vivo studies are available. Therefore, it cannot be unequivocally stated whether treatment with these phenolic compounds offers benefits against CVDs in patients with COVID-19.


Subject(s)
COVID-19 , Cardiovascular Diseases , Animals , Antioxidants/pharmacology , Antioxidants/therapeutic use , Antiviral Agents/pharmacology , Antiviral Agents/therapeutic use , COVID-19/drug therapy , Cardiovascular Diseases/drug therapy , Cardiovascular Diseases/prevention & control , Hemostasis , Humans , Phenols/pharmacology , Phenols/therapeutic use
17.
Plants (Basel) ; 11(7)2022 Apr 05.
Article in English | MEDLINE | ID: covidwho-1785880

ABSTRACT

One undescribed acylated flavonol glucoside and five known compounds were isolated from the aerial parts of Eryngium cymosum F. Delaroche, a plant that is used in traditional Mexican medicine to treat type 2 diabetes. The chemical structures of the isolated compounds were elucidated using a variety of spectroscopic techniques, including 1D and 2D nuclear magnetic resonance (NMR) and mass spectrometry (MS). Chlorogenic acid (1), rosmarinic acid (2), caffeic acid (3), protocatechuic acid (4), kaempferol-3-O-(2,6-di-O-trans-ρ-coumaryl)-ß-d-glucopyranoside (5), and the new acylated flavonol glucoside quercetin-3-O-(2,6-di-O-trans-ρ-coumaryl)-ß-d-glucopyranoside (6) were isolated. This is the first report on the natural occurrence of quercetin-3-O-(2,6-di-O-trans-ρ-coumaryl)-ß-D-glucopyranoside (6). In addition, according to the HPLC profile obtained for the water extract (WE), chlorogenic acid (1) and rosmarinic acid (2) were identified as the main compounds, while kaempferol-3-O-(2,6-di-O-trans-ρ-coumaryl)-ß-d-glucopyranoside (5) were the main compound in the butanolic extract. We demonstrate the important role of compound 5 over the inhibition of G6Pase and FBPase. The isolated compounds may play an important role in the hypoglycemic effect of the extract and may act in a synergic way, but more experiments are needed to corroborate these findings.

18.
Journal of Saudi Chemical Society ; : 101473, 2022.
Article in English | ScienceDirect | ID: covidwho-1773562

ABSTRACT

There is currently a global COVID-19 pandemic caused by the severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and its variants. This highly contagious viral disease continues to pose a major health threat global. The discovery of vaccinations is not enough to prevent their spread and dire consequences. To take advantage of the current drugs and isolated compounds, and immediately qualifying approach is required. The aim of our research is evaluation the potency for natural antiviral compounds against the SARS CoV-2 Mpro. Molecular docking of four phenolic compounds from Phillyrea Angustifolia leaves with SARS-CoV-2 Mpro has been conducted. Similarly, the stability of selected ligand-protein interactions has been determined using MD simulations. Moreover, the quantitative structure-activity relationship (QSAR), MMGBSA binding energies, pharmacokinetics, and drug-likeness predictions for selected phenolic have been reported. The selected phenolic compounds (Luteolin-7-O-glucoside, Apigenin-7-O-glucoside, Demethyl-oleuropein, and Oleuropein aglycone) revealed strong binding contacts in the two active pockets of a target protein of SARS-CoV-2 Mpro with the docking scores and highest binding energies with a binding energy of −8.2 kcal/mol;−7.8 kcal/mol;−7.2 kcal/mol and −7.0 kcal/mol respectively. Both Demethyloleoeuropein and Oleuropein aglycone can interact with residues His41 and Cys145 (catalytic dyad) and other amino acids of the binding pocket of Mpro. According to QSAR, studies on pharmacokinetics and drug-like properties suggested that oleuropein aglycone could be the best inhibitor of SARS-CoV-2 for new drug design and development. Further in vivo, in vitro, and clinical studies are highly needed to examine the potential of these phenolic compounds in the fight against COVID-19.

19.
Beverages ; 8(1):13, 2022.
Article in English | ProQuest Central | ID: covidwho-1760334

ABSTRACT

(1) Background: beverages based on extracts from Camellia sinensis are popular worldwide. Due to an increasing number of processed teas on the market, there is a need to develop unified classification standards based on chemical analysis. Meanwhile, phytochemical characterizations are mainly performed on tea samples from China (~80%). Hence, data on teas of other provenances is recommended. (2) Methods: in the present investigation, we characterized lyophilised extracts obtained by infusion, maceration and methanolic extraction derived from tea samples from China, Japan, Sri Lanka and Portugal by phytochemistry (catechins, oxyaromatic acids, flavonols, alkaloids and theanine). The real benefits of drinking the tea were analysed based on the bioavailability of the determined phytochemicals. (3) Results: the infusions revealed the highest total phenolic contents (TPC) amounts, while methanolic extracts yielded the lowest. The correlation matrix indicated that the levels of phenolic compounds were similar in the infusions and methanolic samples, while extractions made by maceration were significantly different. The differences could be partially explained by the different amounts of (-)-epigallocatechin gallate (EGCG), (-)-epicatechin gallate (ECG) and gallic acids (GA). The catechin percentages were significantly lower in the macerations, especially the quantity of EGCG decreases by 4- to 5-fold after this process. (4) Conclusions: the results highlight the importance of the processing methodology to obtain “instant tea”;the composition of the extracts obtained with the same methodology is not significantly affected by the provenance of the tea. However, attention should be drawn to the specificities of the Japanese samples (the tea analysed in the present work was of Sencha quality). In contrast, the extraction methodology significantly affects the phytochemical composition, especially concerning the content of polyphenols. As such, our results indicate that instant tea classification based on chemical composition is sensible, but there is a need for a standard extraction methodology, namely concerning the temperature and time of contact of the tea leaves with the extraction solvent.

20.
Journal of Food Measurement and Characterization ; 16(2):1559-1571, 2022.
Article in English | CAB Abstracts | ID: covidwho-1748433

ABSTRACT

Interest in the biological role of bioactive compounds present in plant by-products has increased over the last few years. This study aimed to investigate the nutritive value and biological activities of Egyptian Grape leaves (GL), Grape seeds (GS) and Mulberry leaves (ML), as well as investigate the impact of P-irradiation for improving the utilization of these plant by-products. The dose level 5.0 kGy showed highest the content of crude protein (24.42, 19.41 and 13.50 mg/100 g), as well as crude fiber (34.26 and 21.18 mg/100 g) for ML, GL and GS, respectively. Mulberry leaves has a highest content of protein and fiber at dose 5.0 kGy compared with GL and GS. The highest total phenolic content was found in GS (9.75 mg/g DW), followed by GL (7.32 mg/g DW) and the lowest in ML (5.97 mg/g DW). While ML had a higher total flavonoids content (5.61 mg/g DW) than GS (4.88 mg/g DW) and GL (2.86 mg/g DW). Total phenolic and flavonoid contents were significantly increased at 5.0 kGy. The highest level (83.25% and 80.24%) of scavenging activity (DPPH %) and inhibition activity of HCT 116 cells was recorded at 5.0 kGy by GS. All extracts irradiated at 5.0 kGy exhibited varying degrees of antibacterial activity against (Gram+ve and Gram-ve), the GS followed by GL then ML showed strong antibacterial activity with a diameter of inhibition zone of 26.2, 24.5 and 19.7 mm, against L. monocytoganes, respectively and 24.4, 21.4 and 17.2 against S. typhimurium, respectively. This study suggests that P-irradiation is an effective technique to enhance the recovery of phenolics and flavonoids from GL, GS and ML. Also in current study, antioxidant, antibacterial and anticancer activity has been suggested to appear a clear positive relationship with the total phenolic material. This study has proved that the Egyptian GL, GS and ML are rich sources of valuable phytochemicals and nutrients that can serve as a potential source of nutraceuticals and multifunctional food additives (antimicrobial, antioxidant, and anticancer). Phenolic compounds recovered from GL, GS and ML may have a potential role in fighting the COVID-19.

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