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Molecular insights and therapeutic implications of nanoengineered dietary polyphenols for targeting lung carcinoma: part I

Das SS, Tambe S, Prasad Verma PR, Amin P, Singh N, Singh SK, et al.

Nanomedicine (Lond), 2022 Oct;17(23):1779-1798.
PMID: 36636930 DOI: 10.2217/nnm-2022-0133

Lung cancer is the second leading cause of cancer-related mortality globally, and non-small-cell lung cancer accounts for most lung cancer cases. Nanotechnology-based drug-delivery systems have exhibited immense potential in lung cancer therapy due to their fascinating physicochemical characteristics, in vivo stability, bioavailability, prolonged and targeted delivery, gastrointestinal absorption and therapeutic efficiency of their numerous chemotherapeutic agents. However, traditional chemotherapeutics have systemic toxicity issues; therefore, dietary polyphenols might potentially replace them in lung cancer treatment. Polyphenol-based targeted nanotherapeutics have demonstrated interaction with a multitude of protein targets and cellular signaling pathways that affect major cellular processes. This review summarizes the various molecular mechanisms and targeted therapeutic potentials of nanoengineered dietary polyphenols in the effective management of lung cancer.

Matched MeSH terms: Polyphenols/therapeutic use; Polyphenols/chemistry
Selective extraction and recovery of polyphenols from palm oil mill sterilization condensate using emulsion liquid membrane process

Jusoh N, Rosly MB, Othman N, Rahman HA, Noah NFM, Sulaiman RNR

Environ Sci Pollut Res Int, 2020 Jun;27(18):23246-23257.
PMID: 32335833 DOI: 10.1007/s11356-020-07972-5

Polluted sterilization condensate discharged from palm oil mill may contain polyphenols that are rich in the antioxidant property. Emulsion liquid membrane (ELM) process is a promising method for polyphenol recovery due to its several attractive features such as high selectivity, simple operation, and low energy consumption. In this study, the condensate was characterized to determine its total phenolic content (TPC), ionic elements, and pH. ELM formulation containing tributylphosphate (TBP) as a carrier, kerosene as a diluent, sorbitan monooleate (Span 80) as a surfactant, and sodium hydroxide (NaOH) as a stripping agent was developed. The results show that sterilization condensate contains 700-1500 mg GAE/L of TPC. During the ELM process, more than 91% of extraction with 83% recovery and 8.3 enrichment were achieved at the favorable condition of 0.1 M TBP, external phase pH 5, 1 M NaOH, 1:5 treat ratio, 5% v/v of octanol as a modifier, and 100 mg GAE/L external phase concentrations. Thus, ELM offers a potential alternative technology to extract and recover polyphenols from palm oil mill sterilization condensate while contributing to sustainable production. Graphical abstract Extraction of polyphenols from palm oil mill sterilization condensate using ELM process.

Matched MeSH terms: Polyphenols*
Dietary polyphenols regulate appetite mechanism via gut-brain axis and gut homeostasis

Liu H, Guo X, Jiang K, Shi B, Liu L, Hou R, et al.

Food Chem, 2024 Jul 15;446:138739.
PMID: 38412807 DOI: 10.1016/j.foodchem.2024.138739

Nowadays, due to the rise of fast-food consumption, the metabolic diseases are increasing as a result of high-sugar and high-fat diets. Therefore, there is an urgent need for natural, healthy and side-effect-free diets in daily life. Whole grain supplementation can enhance satiety and regulate energy metabolism, effects that have been attributed to polyphenol content. Dietary polyphenols interact with gut microbiota to produce intermediate metabolites that can regulate appetite while also enhancing prebiotic effects. This review considers how interactions between gut metabolites and dietary polyphenols might regulate appetite by acting on the gut-brain axis. In addition, further advances in the study of dietary polyphenols and gut microbial metabolites on energy metabolism and gut homeostasis are summarized. This review contributes to a better understanding of how dietary polyphenols regulate appetite via the gut-brain axis, thereby providing nutritional references for citizens' dietary preferences.

Matched MeSH terms: Polyphenols/metabolism
Quercetin: an effective polyphenol in alleviating diabetes and diabetic complications

Yan L, Vaghari-Tabari M, Malakoti F, Moein S, Qujeq D, Yousefi B, et al.

Crit Rev Food Sci Nutr, 2023;63(28):9163-9186.
PMID: 35468007 DOI: 10.1080/10408398.2022.2067825

Various studies, especially in recent years, have shown that quercetin has beneficial therapeutic effects in various human diseases, including diabetes. Quercetin has significant anti-diabetic effects and may be helpful in lowering blood sugar and increasing insulin sensitivity. Quercetin appears to affect many factors and signaling pathways involved in insulin resistance and the pathogenesis of type 2 of diabetes. TNFα, NFKB, AMPK, AKT, and NRF2 are among the factors that are affected by quercetin. In addition, quercetin can be effective in preventing and ameliorating the diabetic complications, including diabetic nephropathy, cardiovascular complications, neuropathy, delayed wound healing, and retinopathy, and affects the key mechanisms involved in the pathogenesis of these complications. These positive effects of quercetin may be related to its anti-inflammatory and anti-oxidant properties. In this article, after a brief review of the pathogenesis of insulin resistance and type 2 diabetes, we will review the latest findings on the anti-diabetic effects of quercetin with a molecular perspective. Then we will review the effects of quercetin on the key mechanisms of pathogenesis of diabetes complications including nephropathy, cardiovascular complications, neuropathy, delayed wound healing, and retinopathy. Finally, clinical trials investigating the effect of quercetin on diabetes and diabetes complications will be reviewed.

Matched MeSH terms: Polyphenols/pharmacology; Polyphenols/therapeutic use
Environmentally adapted bio-oil compounds-derived polyolesters synthesis: Optimization and properties of base fluids

Cheryl-Low YL, Kong PS, Lee HV

J Hazard Mater, 2021 04 05;407:124365.
PMID: 33162238 DOI: 10.1016/j.jhazmat.2020.124365

Non-edible bio-oil derived from lignocellulosic biomass could be used as environmentally friendly lubricant-ester base stock for maritime and road-type transportations. However, the use of crude bio-oil with highly oxygenated compounds required further upgrading to yield ester that mimicked the characteristics of Group V base oil (polyolesters). In this study, bio-oil based polyolesters was produced via esterification using green biopolymer alginate acid catalyst (Al-Alg). The bio-oil compounds used were acetic acid (AcA), propionic acid (PrA) and levulinic acid (LA), while polyols such as neopentyl glycol (NPG), trimethylolpropane (TMP) and pentaerythritol (PE) were used. Optimization studies revealed that NPG-PrA ester gave the best ester purity of 100%, with 95% of diester selectivity under optimum conditions of 15 wt% Al-Alg, 8 h, 6:1 PrA:NPG and 140 °C. The produced polyolesters showed potential lube characteristics with viscosity index of 76, kinematic viscosity of 2.3 mm2 s-1 at 40 °C and oxidative induction time of 15 min at 100 °C. Furthermore, a reusability study of the Al-Alg catalyst indicated high NPG-PrA diester selectivity (above 90%) for 8 consecutive cycles. The physico-chemical properties of spent Al-Alg catalyst were also discussed.

Matched MeSH terms: Polyphenols*
Pyrolysis of oil palm mesocarp fiber catalyzed with steel slag-derived zeolite for bio-oil production

Kabir G, Mohd Din AT, Hameed BH

Bioresour Technol, 2018 Feb;249:42-48.
PMID: 29040858 DOI: 10.1016/j.biortech.2017.09.190

The pyrolysis of oil palm mesocarp fiber (OPMF) was catalyzed with a steel slag-derived zeolite (FAU-SL) in a slow-heating fixed-bed reactor at 450 °C, 550 °C, and 600 °C. The catalytic pyrolysis of OPMF produced a maximum yield of 47 wt% bio-oil at 550 °C, and the crude pyrolysis vapor (CPV) of this process yielded crude pyrolysis oil with broad distribution of bulky oxygenated organic compounds. The bio-oil composition produced at 550 °C contained mainly light and stable acid-rich carbonyls at a relative abundance of 48.02% peak area and phenolic compounds at 12.03% peak area. The FAU-SL high mesoporosity and strong surface acidity caused the conversion of the bulky CPV molecules into mostly light acid-rich carbonyls and aromatics through secondary reactions. The secondary reactions mechanisms facilitated by FAU-SL reduced the distribution of the organic compounds in the bio-oil to mostly acid-rich carbonyls and aromatic in contrast to other common zeolite.

Matched MeSH terms: Polyphenols*
The Potential Use of Honey as a Neuroprotective Agent for the Management of Neurodegenerative Diseases

Fadzil MAM, Mustar S, Rashed AA

Nutrients, 2023 Mar 23;15(7).
PMID: 37049399 DOI: 10.3390/nu15071558

As the global population ages, there is an increasing research on managing neurodegenerative diseases that mainly affect the elderly. Honey is one of the natural products and functional foods widely studied for its neuroprotective properties. This review investigates honey's effectiveness as a neuroprotective agent through in vitro, in vivo, and clinical research. The articles were browsed from three databases (PubMed, ScienceDirect, and Scopus) between the years of 2012 and 2022 using the keywords "honey" crossed with "neurodegenerative". Out of the 16 articles, six in vitro, eight in vivo, one combination study, and one clinical intervention were compiled. Among the various types of honey studied, the Tualang and Thyme honey exhibited the highest antioxidant, anti-inflammatory, and anticholinesterase activity, leading to the prevention and management of multiple neurodegenerative diseases such as Alzheimer's disease. The neuroprotective properties of honey are primarily attributed to its high polyphenol content, with quercetin and gallic acid being the most prominent. This review compiled considerable evidence of the anti-neurodegenerative properties of honey presented by in vitro and in vivo studies. However, more clinical intervention studies are required to support these findings further.

Matched MeSH terms: Polyphenols/therapeutic use
Fulltext In-vitro evaluation of the effectiveness of polyphenols based strawberry extracts for dental bleaching

Kohli S, Bhatia S, Banavar SR, Al-Haddad A, Kandasamy M, Qasim SSB, et al.

Sci Rep, 2023 Mar 13;13(1):4181.
PMID: 36914760 DOI: 10.1038/s41598-023-31125-6

To formulate a dental bleaching agent with strawberry extract that has potent bleaching properties and antimicrobial efficacy. Enamel specimens (3 × 3 × 2 mm3) were prepared. Quaternary Ammonium Silane (CaC2 enriched) was homogenized with fresh strawberries: Group 1: supernatant strawberry (10 g) extract

Matched MeSH terms: Polyphenols/pharmacology
Fulltext Nutritional and Health Benefits of the Brown Seaweed Himanthalia elongata

Ilyas Z, Ali Redha A, Wu YS, Ozeer FZ, Aluko RE

Plant Foods Hum Nutr, 2023 Jun;78(2):233-242.
PMID: 36947371 DOI: 10.1007/s11130-023-01056-8

Himanthalia elongata is a brown seaweed containing several nutritional compounds and bioactive substances including antioxidants, dietary fibre, vitamins, fatty acids, amino acids, and macro- and trace- elements. A variety of bioactive compounds including phlorotannins, flavonoids, dietary fucoxanthin, hydroxybenzoic acid, hydroxycinnamic acid, polyphenols and carotenoids are also present in this seaweed. Multiple comparative studies were carried out between different seaweed species, wherein H. elongata was determined to exhibit high antioxidant capacity, total phenolic content, fucose content and potassium concentrations compared to other species. H. elongata extracts have also shown promising anti-hyperglycaemic and neuroprotective activities. H. elongata is being studied for its potential industrial food applications. In new meat product formulations, it lowered sodium content, improved phytochemical and fiber content in beef patties, improved properties of meat gel/emulsion systems, firmer and tougher with improved water and fat binding properties. This narrative review provides a comprehensive overview of the nutritional composition, bioactive properties, and food applications of H. elongata.

Matched MeSH terms: Polyphenols/pharmacology
Fulltext Bioactivities of Phenolic Compounds from Kiwifruit and Persimmon

Kim YM, Abas F, Park YS, Park YK, Ham KS, Kang SG, et al.

Molecules, 2021 Jul 21;26(15).
PMID: 34361562 DOI: 10.3390/molecules26154405

Fruit used in the common human diet in general, and kiwifruit and persimmon particularly, displays health properties in the prevention of heart disease. This study describes a combination of bioactivity, multivariate data analyses and fluorescence measurements for the differentiating of kiwifruit and persimmon, their quenching and antioxidant properties. The metabolic differences are shown, as well in the results of bioactivities and antioxidant capacities determined by ABTS, FRAP, CUPRAC and DPPH assays. To complement the bioactivity of these fruits, the quenching properties between extracted polyphenols and human serum proteins were determined by 3D-fluorescence spectroscopy studies. These properties of the extracted polyphenols in interaction with the main serum proteins in the human metabolism (human serum albumin (HSA), α-β-globulin (α-β G) and fibrinogen (Fgn)), showed that kiwifruit was more reactive than persimmon. There was a direct correlation between the quenching properties of the polyphenols of the investigated fruits with serum human proteins, their relative quantification and bioactivity. The results of metabolites and fluorescence quenching show that these fruits possess multiple properties that have a great potential to be used in industry with emphasis on the formulation of functional foods and in the pharmaceutical industry. Based on the quenching properties of human serum proteins with polyphenols and recent reports in vivo on human studies, we hypothesize that HSA, α-β G and Fgn will be predictors of coronary artery disease (CAD).

Matched MeSH terms: Polyphenols/pharmacology; Polyphenols/chemistry*
Fulltext The anticancer mechanism of action of selected polyphenols in triple-negative breast cancer (TNBC)

Farghadani R, Naidu R

Biomed Pharmacother, 2023 Sep;165:115170.
PMID: 37481930 DOI: 10.1016/j.biopha.2023.115170

Breast cancer is a leadingcause of cancer-related deaths in women globally, with triple-negative breast cancer (TNBC) being an aggressive subtype that lacks targeted therapies and is associated with a poor prognosis. Polyphenols, naturally occurring compounds in plants, have been investigated as a potential therapeutic strategy for TNBC. This review provides an overview of the anticancer effects of polyphenols in TNBC and their mechanisms of action. Several polyphenols, including resveratrol, quercetin, kaempferol, genistein, epigallocatechin-3-gallate, apigenin, fisetin, hesperetin and luteolin, have been shown to inhibit TNBC cell proliferation, induce cell cycle arrest, promote apoptosis, and suppress migration/invasion in preclinical models. The molecular mechanisms underlying their anticancer effects involve the modulation of several signalling pathways, such as PI3K/Akt, MAPK, STATT, and NF-κB pathways. Polyphenols also exhibit synergistic effects with chemotherapy drugs, making them promising candidates for combination therapy. The review also highlights clinical trials investigating the potential use of polyphenols, individually or in combination therapy, against breast cancer. This review deepens the under-standing of the mechanism of action of respective polyphenols and provides valuable insights into the potential use of polyphenols as a therapeutic strategy for TNBC, and lays the groundwork for future research in this area.

Matched MeSH terms: Polyphenols/pharmacology; Polyphenols/therapeutic use
Interaction of zein/HP-β-CD nanoparticles with digestive enzymes: Enhancing curcumin bioavailability

Zhang Z, Miao W, Ji H, Lin Q, Li X, Sang S, et al.

Food Chem, 2024 Dec 01;460(Pt 3):140792.
PMID: 39126939 DOI: 10.1016/j.foodchem.2024.140792

The low bioavailability of polyphenolic compounds due to poor solubility and stability is a major challenge. Encapsulation of polyphenols in zein-based composite nanoparticles can improve the water dispersion, stability, targeted delivery, and controlled release of polyphenols in the gastrointestinal tract. In this study, we investigated the fluorescence properties, bioactivity, and microstructural characteristics of polyphenols during digestion, revealing that zein nanoparticles protect polyphenols from gastric degradation and promote their sustained release in the small intestine. The effects of different ionic species and salt ion concentrations on the digestive properties of polyphenol complex delivery systems have also been explored. In addition, the formation of "protein corona" structures during digestion may affect bioavailability. These findings highlight the potential of nanoparticle formulations to improve polyphenol stability and absorption. The results of this study may provide new insights and references for the study of polyphenol bioavailability enhancement.

Matched MeSH terms: Polyphenols/metabolism; Polyphenols/chemistry
Fulltext The Role of Polyphenol in Modulating Associated Genes in Diabetes-Induced Vascular Disorders

Mohd Nor NA, Budin SB, Zainalabidin S, Jalil J, Sapian S, Jubaidi FF, et al.

Int J Mol Sci, 2022 Jun 07;23(12).
PMID: 35742837 DOI: 10.3390/ijms23126396

Diabetes-induced vascular disorder is considered one of the deadly risk factors among diabetic patients that are caused by persistent hyperglycemia that eventually leads to cardiovascular diseases. Elevated reactive oxygen species (ROS) due to high blood glucose levels activate signaling pathways such as AGE/RAGE, PKC, polyol, and hexosamine pathways. The activated signaling pathway triggers oxidative stress, inflammation, and apoptosis which later lead to vascular dysfunction induced by diabetes. Polyphenol is a bioactive compound that can be found abundantly in plants such as vegetables, fruits, whole grains, and nuts. This compound exerts therapeutic effects in alleviating diabetes-induced vascular disorder, mainly due to its potential as an anti-oxidative, anti-inflammatory, and anti-apoptotic agent. In this review, we sought to summarize the recent discovery of polyphenol treatments in modulating associated genes involved in the progression of diabetes-induced vascular disorder.

Matched MeSH terms: Polyphenols/pharmacology; Polyphenols/therapeutic use
Opening eyes to therapeutic perspectives of bioactive polyphenols and their nanoformulations against diabetic neuropathy and related complications

Khursheed R, Singh SK, Wadhwa S, Gulati M, Kapoor B, Awasthi A, et al.

Expert Opin Drug Deliv, 2021 04;18(4):427-448.
PMID: 33356647 DOI: 10.1080/17425247.2021.1846517

Introduction: Diabetic neuropathy (DN) is one of the major complications arising from hyperglycaemia in diabetic patients. In recent years polyphenols present in plants have gained attention to treat DN. The main advantages associated with them are their action via different molecular pathways to manage DN and their safety. However, they failed to gain clinical attention due to challenges associated with their formulation development such as lipophilicity,poor bioavailability, rapid systemic elimination, and enzymatic degradation.Area covered: This article includes different polyphenols that have shown their potential against DN in preclinical studies and the research carried out towards development of their nanoformulations in order to overcome aforementioned issues.Expert opinion: In this review various polyphenol based nanoformulations such as nanospheres, self-nanoemulsifying drug delivery systems, niosomes, electrospun nanofibers, metallic nanoparticles explored exclusively to treat DN are discussed. However, the literature available related to polyphenol based nanoformulations to treat DN is limited. Moreover, these experiments are limited to preclinical studies. Hence, more focus is required towards development of nanoformulations using simple and single step process as well as inexpensive and non-toxic excipients so that a stable, scalable, reproducible and non-toxic formulation could be achieved and clinical trials could be initiated.

Matched MeSH terms: Polyphenols/pharmacology
Metabolomics in tea products; a compile of applications for enhancing agricultural traits and quality control analysis of Camellia sinensis

Farag MA, Elmetwally F, Elghanam R, Kamal N, Hellal K, Hamezah HS, et al.

Food Chem, 2023 Mar 15;404(Pt B):134628.
PMID: 36283313 DOI: 10.1016/j.foodchem.2022.134628

Tea is one of the world's most popular beverages, with several health benefits. Polyphenols are the predominant constituents to account for its health benefits. Despite the well-known benefits of tea on health, the uniqueness of its aroma, taste, and features is an added value that contribute to the increased popularity of this beverage worldwide, and they are associated with the alterations in the metabolites during tea processing and cultivation. The manufacturing of tea consists of several stages with various processes as withering, fixing, rolling, fermentation and drying. The classification into tea types is according to such processing. The high-quality production of the various tea classes also depends on agricultural conditions, such as shading, plucking, climate, and soil composition. Metabolomics is well recognized as an effective tool for evaluating the quality of tea products. Applications in controlling the quality of tea products and adulterant detection are discussed in this review.

Matched MeSH terms: Polyphenols/analysis
Chemotherapeutic Role of Polyphenols Present in Ocimum sanctum

Khatoon S, Kalam N, Balasubramaniam VR, Shaikh MF, Ansari MT

Anticancer Agents Med Chem, 2022;22(20):3325-3342.
PMID: 35578854 DOI: 10.2174/1871520622666220516142839

Ocimum sanctum is a sacred herb of India and is commonly known as 'Tulsi' or 'Holy Basil' in regional languages of the country. Various parts of O. sanctum are recognised to have remarkable therapeutic efficacy, and are therefore used in Indian traditional medicine system, Ayurveda. Scientific studies have shown that O. sanctum has a range of pharmacological activities. The presence of a substantial amount of polyphenols in O. sanctum could be the reason for its excellent bioactivity. Polyphenols are used to prevent or treat oncologic diseases due to their anti-cancer effects, which are related to activation of apoptotic signaling, cell cycle arrest, binding ability with membrane receptors, and potential effects on immunomodulation and epigenetic mechanisms. The poor bioavailability of polyphenols restricts their clinical use. The application of nanonization has been implemented to improve their bioavailability, penetrability, and prolong their anticancer action. The present review analyses the recent preclinical studies related to the chemo-preventive and therapeutic potential of polyphenols present in O. sanctum. Moreover, the current article also examines in-depth the biochemical and molecular mechanisms involved in the antineoplastic actions of the considered polyphenols.

Matched MeSH terms: Polyphenols/pharmacology
Fulltext A Comprehensive Review of the Pharmacological Properties and Bioactive Components of Retama monosperma

El Yadini A, Elouafy Y, Amiri-Ardekani E, Shafiee M, Firouzi A, Sasani N, et al.

Molecules, 2023 Feb 10;28(4).
PMID: 36838696 DOI: 10.3390/molecules28041708

Retama monosperma L. (Boiss.) or Genista monosperma L. (Lam.), known locally as "R'tam", is a spontaneous and annual herb that belongs to the Fabaceae family. It is native to the Mediterranean regions, specifically in the desert areas and across the Middle Atlas in Morocco. This plant has been extensively used in folk medicine and it is rich in bioactive compounds, including polyphenols, flavonoids, and alkaloids. Current research efforts are focusing on the development of novel natural drugs as alternatives to various organic and non-organic chemical products from Retama monosperma. In addition, extract, and isolated compounds obtained from different parts of the chosen plant have been described to exhibit multiple biological and pharmacological properties such as antioxidant, anti-aging, anti-inflammatory, antihypertensive, anti-helminthic, disinfectant, diuretic, and hypoglycemic effects. The plant-derived extract also acts as an antimicrobial agent, which is highly efficient in the treatment of bacterial, viral, and fungal infections. Its antiproliferative effects are associated with some mechanisms, such as the inhibition of cell cycle arrest and apoptosis. In light of these assessments, we critically highlight the beneficial effects of the flowers, stems, seeds extracts, and isolated compounds from R. monosperma (L.) Boiss in human health care, industrial, and other applications, as well as the possible ways to be employed as a potential natural source for future drug discovery.

Matched MeSH terms: Polyphenols/pharmacology
Fulltext Pea eggplant (Solanum torvum Swartz) is a source of plant food polyphenols with SARS-CoV inhibiting potential

Govender N, Zulkifli NS, Badrul Hisham NF, Ab Ghani NS, Mohamed-Hussein ZA

PeerJ, 2022;10:e14168.
PMID: 36518265 DOI: 10.7717/peerj.14168

BACKGROUND: Pea eggplant (Solanum torvum Swartz) commonly known as turkey berry or 'terung pipit' in Malay is a vegetable plant widely consumed by the local community in Malaysia. The shrub bears pea-like turkey berry fruits (TBFs), rich in phytochemicals of medicinal interest. The TBF phytochemicals hold a wide spectrum of pharmacological properties. In this study, the TBF phytochemicals' potential inhibitory properties were evaluated against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) of the Coronavirus disease 2019 (COVID-19). The TBF polyphenols were screened against SARS-CoV receptors via molecular docking and the best receptor-ligand complex was validated further by molecular dynamics (MD) simulation.
METHOD: The SARS-CoV receptor structure files (viral structural components) were retrieved from the Protein Data Bank (PDB) database: membrane protein (PDB ID: 3I6G), main protease (PDB ID: 5RE4), and spike glycoproteins (PDB ID: 6VXX and 6VYB). The receptor binding pocket regions were identified by Discovery Studio (BIOVIA) for targeted docking with TBF polyphenols (genistin, kaempferol, mellein, rhoifolin and scutellarein). The ligand and SARS-CoV family receptor structure files were pre-processed using the AutoDock tools. Molecular docking was performed with the Lamarckian genetic algorithm using AutoDock Vina 4.2 software. The best pose (ligand-receptor complex) from the molecular docking analysis was selected based on the minimum binding energy (MBE) and extent of structural interactions, as indicated by BIOVIA visualization tool. The selected complex was validated by a 100 ns MD simulation run using the GROMACS software. The dynamic behaviour and stability of the receptor-ligand complex were evaluated by the root mean square displacement (RMSD), root mean square fluctuation (RMSF), radius of gyration (Rg), solvent accessible surface area (SASA), solvent accessible surface volume (SASV) and number of hydrogen bonds.
RESULTS: At RMSD = 0, the TBF polyphenols showed fairly strong physical interactions with SARS-CoV receptors under all possible combinations. The MBE of TBF polyphenol-bound SARS CoV complexes ranged from -4.6 to -8.3 kcal/mol. Analysis of the structural interactions showed the presence of hydrogen bonds, electrostatic and hydrophobic interactions between the receptor residues (RR) and ligands atoms. Based on the MBE values, the 3I6G-rhoifolin (MBE = -8.3 kcal/mol) and 5RE4-genistin (MBE = -7.6 kcal/mol) complexes were ranked with the least value. However, the latter showed a greater extent of interactions between the RRs and the ligand atoms and thus was further validated by MD simulation. The MD simulation parameters of the 5RE4-genistin complex over a 100 ns run indicated good structural stability with minimal flexibility within genistin binding pocket region. The findings suggest that S. torvum polyphenols hold good therapeutics potential in COVID-19 management.

Matched MeSH terms: Polyphenols/pharmacology
Waste-to-energy: Co-pyrolysis of potato peel and macroalgae for biofuels and biochemicals

Fardi Z, Shahbeik H, Nosrati M, Motamedian E, Tabatabaei M, Aghbashlo M

Environ Res, 2024 Feb 01;242:117614.
PMID: 37996005 DOI: 10.1016/j.envres.2023.117614

Waste-to-energy conversion presents a pivotal strategy for mitigating the energy crisis and curbing environmental pollution. Pyrolysis is a widely embraced thermochemical approach for transforming waste into valuable energy resources. This study delves into the co-pyrolysis of terrestrial biomass (potato peel) and marine biomass (Sargassum angastifolium) to optimize the quantity and quality of the resultant bio-oil and biochar. Initially, thermogravimetric analysis was conducted at varying heating rates (5, 20, and 50 °C/min) to elucidate the thermal degradation behavior of individual samples. Subsequently, comprehensive analyses employing FTIR, XRD, XRF, BET, FE-SEM, and GC-MS were employed to assess the composition and morphology of pyrolysis products. Results demonstrated an augmented bio-oil yield in mixed samples, with the highest yield of 27.1 wt% attained in a composition comprising 75% potato peel and 25% Sargassum angastifolium. As confirmed by GC-MS analysis, mixed samples exhibited reduced acidity, particularly evident in the bio-oil produced from a 75% Sargassum angastifolium blend, which exhibited approximately half the original acidity. FTIR analysis revealed key functional groups on the biochar surface, including O-H, CO, and C-O moieties. XRD and XRF analyses indicated the presence of alkali and alkaline earth metals in the biochar, while BET analysis showed a surface area ranging from 0.64 to 1.60 m2/g. The favorable characteristics of the products highlight the efficacy and cost-effectiveness of co-pyrolyzing terrestrial and marine biomass for the generation of biofuels and value-added commodities.

Matched MeSH terms: Polyphenols*
A comprehensive review on Moringa oleifera nanoparticles: importance of polyphenols in nanoparticle synthesis, nanoparticle efficacy and their applications

Perumalsamy H, Balusamy SR, Sukweenadhi J, Nag S, MubarakAli D, El-Agamy Farh M, et al.

J Nanobiotechnology, 2024 Feb 19;22(1):71.
PMID: 38373982 DOI: 10.1186/s12951-024-02332-8

Moringa oleifera is one of the popular functional foods that has been tremendously exploited for synthesis of a vast majority of metal nanoparticles (NPs). The diverse secondary metabolites present in this plant turn it into a green tool for synthesis of different NPs with various biological activities. In this review, we discussed different types of NPs including silver, gold, titanium oxide, iron oxide, and zinc oxide NPs produced from the extract of different parts of M. oleifera. Different parts of M. oleifera take a role as the reducing, stabilizing, capping agent, and depending on the source of extract, the color of solution changes within NP synthesis. We highlighted the role of polyphenols in the synthesis of NPs among major constituents of M. oleifera extract. The different synthesis methods that could lead to the formation of various sizes and shapes of NPs and play crucial role in biomedical application were critically discussed. We further debated the mechanism of interaction of NPs with various sizes and shapes with the cells, and further their clearance from the body. The application of NPs made from M. oleifera extract as anticancer, antimicrobial, wound healing, and water treatment agent were also discussed. Small NPs show better antimicrobial activity, while they can be easily cleared from the body through the kidney. In contrast, large NPs are taken by the mono nuclear phagocyte system (MPS) cells. In case of shape, the NPs with spherical shape penetrate into the bacteria, and show stronger antibacterial activity compared to the NPs with other shapes. Finally, this review aims to correlate the key characteristics of NPs made from M. oleifera extract, such as size and shape, to their interactions with the cells for designing and engineering them for bio-applications and especially for therapeutic purposes.

Matched MeSH terms: Polyphenols/pharmacology

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