Molecular docking as a tool for the discovery of molecular targets of nutraceuticals in diseases management

Scientific Reports, Journal Year: 2023, Volume and Issue: 13(1)

Published: Aug. 17, 2023

Abstract Molecular docking is a computational technique that predicts the binding affinity of ligands to receptor proteins. Although it has potential uses in nutraceutical research, developed into formidable tool for drug development. Bioactive substances called nutraceuticals are present food sources and can be used management diseases. Finding their molecular targets help creation disease-specific new therapies. The purpose this review was explore docking's application study dietary supplements disease management. First, an overview fundamentals various software tools available presented. limitations difficulties using research also covered, including reliability scoring functions requirement experimental validation. Additionally, there focus on identification numerous models, those sickle cell disease, cancer, cardiovascular, gut, reproductive, neurodegenerative disorders. We further highlighted biochemistry pathways models from recent studies have revealed mechanisms pinpoint nutraceuticals' effects pathogenesis. It convincingly true useful identifying may offer information about how work support therapeutics. Therefore, bright future lot potentials lead brand-new medicines treatment disease.

Language: Английский

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Antimicrobial Activity of Quercetin: An Approach to Its Mechanistic Principle

Molecules, Journal Year: 2022, Volume and Issue: 27(8), P. 2494 - 2494

Published: April 12, 2022

Quercetin, an essential plant flavonoid, possesses a variety of pharmacological activities. Extensive literature investigates its antimicrobial activity and possible mechanism action. Quercetin has been shown to inhibit the growth different Gram-positive Gram-negative bacteria as well fungi viruses. The action includes cell membrane damage, change permeability, inhibition synthesis nucleic acids proteins, reduction expression virulence factors, mitochondrial dysfunction, preventing biofilm formation. also various drug-resistant microorganisms, thereby suggesting use potent agent against strains. Furthermore, certain structural modifications quercetin have sometimes enhance compared that parent molecule. In this review, we summarized with special focus on mechanistic principle. Therefore, review will provide further insights into scientific understanding quercetin’s action, implications for clinically relevant agent.

Language: Английский

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Curcumin, Quercetin, Catechins and Metabolic Diseases: The Role of Gut Microbiota

Nutrients, Journal Year: 2021, Volume and Issue: 13(1), P. 206 - 206

Published: Jan. 12, 2021

Polyphenols (PPs) are the naturally occurring bioactive components in fruits and vegetables, they most abundant antioxidant human diet. Studies suggesting that ingestion of PPs might be helpful to ameliorate metabolic syndromes may contribute prevention several chronic disorders like diabetes, obesity, hypertension, colon cancer. have structural diversity which impacts their bioavailability as accumulate large intestine extensively metabolized through gut microbiota (GM). Intestinal transforms into metabolites make them bioactive. Interestingly, not only GM act on metabolize but also modulate composition GM. Thus, change from pathogenic beneficial ones health associated diseases. However, overcome low PPs, various approaches been developed improve solubility transportation gut. In this review, we present evidence supporting changes occur after reactions (curcumin, quercetin, catechins) effect leads improving overall helping disorders.

Language: Английский

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Flavonols and Flavones as Potential anti-Inflammatory, Antioxidant, and Antibacterial Compounds

Oxidative Medicine and Cellular Longevity, Journal Year: 2022, Volume and Issue: 2022, P. 1 - 21

Published: Sept. 6, 2022

Plant preparations have been used to treat various diseases and discussed for centuries. Research has advanced discover identify the plant components with beneficial effects reveal their underlying mechanisms. Flavonoids are phytoconstituents anti-inflammatory, antimutagenic, anticarcinogenic, antimicrobial properties. Herein, we listed contextualized aspects of protective flavonols quercetin, isoquercetin, kaempferol, myricetin flavones luteolin, apigenin, 3',4'-dihydroxyflavone, baicalein, scutellarein, lucenin-2, vicenin-2, diosmetin, nobiletin, tangeretin, 5-O-methyl-scutellarein. We presented structural characteristics subclasses, importance, occurrence, food sources. The bioactive compounds present in our diet, such as fruits vegetables, may affect health disease state. Therefore, role these inflammation, oxidative mechanisms, bacterial metabolism; moreover, synergism antibiotics better outcomes. Indiscriminate use allows emergence multidrug-resistant strains; thus, be adjuvant treatment infectious caused by resistant opportunistic bacteria via direct indirect also focused on reported mechanisms intracellular targets flavones, which support therapeutic inflammatory diseases.

Language: Английский

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Quercetin: a natural compound for ovarian cancer treatment

Journal of Ovarian Research, Journal Year: 2019, Volume and Issue: 12(1)

Published: June 15, 2019

Ovarian cancer is the main cause of death among all reproductive cancers in females. In 2018, ovarian was seventh most common women entire world. A wide variety molecular and genetic alterations as well different response to therapies types lead problems design a therapeutic strategy. Besides, cells have tendency acquire resistance treatments through multiple mechanisms. Various factors, including cytokines, growth proteases, adhesion molecules, coagulation hormones apoptotic agents been examined find effective treatment. Phytochemicals indicated great potential anti-cancer properties against various cancers. Quercetin one phytochemicals that exists extensively daily foods. Wide evidences revealed quercetin able inhibit breast, lung, nasopharyngeal, kidney, colorectal, prostate, pancreatic, cancer. Several vitro vivo studied conducted evaluate cytotoxic effects on Since does not harm healthy it via mechanisms, researchers suggest could be an ideal agent for treatment or adjuvant combination with other drugs. Thus, this review, we focused chemo-preventive curative attitude summarize some recent findings which regard possible mechanisms by natural compound inhibits

Language: Английский

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Revisiting the Oxidation of Flavonoids: Loss, Conservation or Enhancement of Their Antioxidant Properties

Antioxidants, Journal Year: 2022, Volume and Issue: 11(1), P. 133 - 133

Published: Jan. 7, 2022

Flavonoids display a broad range of health-promoting bioactivities. Among these, their capacity to act as antioxidants has remained most prominent. The canonical reactive oxygen species (ROS)-scavenging mode the antioxidant action flavonoids relies on high susceptibility phenolic moieties undergo oxidation. As consequence, upon reaction with ROS, is severely compromised. Other phenol-compromising reactions, such those involved in biotransformation flavonoids, can also markedly affect properties. In recent years, however, increasing evidence indicated that, at least for some oxidation residues fact enhance original apparent paradoxical cases, activity arises from pro-oxidant and/or electrophilic character oxidation-derived metabolites and exerted by activating Nrf2-Keap1 pathway, which upregulates cell's endogenous capacity, and/or, preventing activation pro-inflammatory NF-κB pathway. This review focuses effects that oxidative non-oxidative modification groups may have ability resulting promote direct indirect actions. Considering case metabolite quercetin, we offer comprehensive description increasingly supports concept certain phenolics emerges mechanism amplifies An overlooked topic great phytomedicine potential thus unraveled.

Language: Английский

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The Therapeutic Effects and Mechanisms of Quercetin on Metabolic Diseases: Pharmacological Data and Clinical Evidence

Oxidative Medicine and Cellular Longevity, Journal Year: 2021, Volume and Issue: 2021(1)

Published: Jan. 1, 2021

Metabolic diseases have become major public health issues worldwide. Searching for effective drugs treating metabolic from natural compounds has attracted increasing attention. Quercetin, an important flavonoid, is extensively present in fruits, vegetables, and medicinal plants. Due to its potentially beneficial effects on human health, quercetin the focus of In this review, we provide a timely comprehensive summary pharmacological advances clinical data treatment three diseases, including diabetes, hyperlipidemia, nonalcoholic fatty liver disease (NAFLD). Accumulating evidences obtained animal experiments prove that these diseases. It can promote insulin secretion, improve resistance, lower blood lipid levels, inhibit inflammation oxidative stress, alleviate hepatic accumulation, regulate gut microbiota disorders models. However, studies NAFLD remain scarce. More trials with larger sample sizes longer trial durations are needed verify true effectiveness subjects. Moreover, another issue needs be resolved future research bioavailability quercetin. This review may valuable information basic research, drug development, application

Language: Английский

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A review on the traditional uses, phytochemistry, and pharmacological activities of clove basil (Ocimum gratissimum L.)

Heliyon, Journal Year: 2021, Volume and Issue: 7(11), P. e08404 - e08404

Published: Nov. 1, 2021

In traditional medicine, Ocimum gratissimum (clove basil) is used in the treatment of various diseases such as diabetes, cancer, inflammation, anaemia, diarrhoea, pains, and fungal bacterial infections. The present study reviewed phytochemicals, essential oils, pharmacological activities O. gratissimum. bioactive compounds extracted from include phytochemicals (oleanolic acid, caffeic ellagic epicatechin, sinapic rosmarinic chlorogenic luteolin, apigenin, nepetoidin, xanthomicrol, nevadensin, salvigenin, gallic catechin, quercetin, rutin, kaempfero) oils (camphene, β-caryophyllene, α- β-pinene, α-humulene, sabinene, β-myrcene, limonene, 1,8-cineole, trans-β-ocimene, linalool, δ-terpineol, eugenol, α-copaene, β-elemene, p-cymene, thymol, carvacrol). Various vivo vitro studies have shown that its constituents possess properties antioxidant, anti-inflammatory, anticancer, hepatoprotective, antidiabetic, antihypertensive, antidiarrhoeal, antimicrobial properties. This review demonstrated has a strong preventive therapeutic effect against several diseases. effectiveness to ameliorate may be attributed antioxidant well capacity improve systems. However, despite widespread gratissimum, further experiments human clinical trial are needed establish effective safe doses for

Language: Английский

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Fabrication of chitosan-based functional nanocomposite films: Effect of quercetin-loaded chitosan nanoparticles

Food Hydrocolloids, Journal Year: 2021, Volume and Issue: 121, P. 107065 - 107065

Published: July 28, 2021

Language: Английский

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MYB transcription factors—master regulators of phenylpropanoid biosynthesis and diverse developmental and stress responses

Plant Cell Reports, Journal Year: 2022, Volume and Issue: 41(12), P. 2245 - 2260

Published: Sept. 29, 2022

Language: Английский

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