flavonol/dental caries

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Simulation of the substrate cavity dynamics of quercetinase.

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Molecular dynamics (MD) simulations have been performed on quercetin 2,3 dioxygenase (2,3QD) to study the mobility and flexibility of the substrate cavity. 2,3QD is the only firmly established Cu-containing dioxygenase known so far. It catalyses the breakage of the O-heterocycle of flavonols. The

Synthesis of prenylated flavonols and their potents as estrogen receptor modulator.

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Prenylated flavonols are known as phytoestrogen and have good bioactivties. However, their abundances in nature are pretty low. It is required to find an efficient synthesis technique. Icariin is a prenylated flavonol glycoside with low cost. It can be used to synthesize different prenylated

Molecular insight into the inclusion of the dietary plant flavonol fisetin and its chromophore within a chemically modified γ-cyclodextrin: Multi-spectroscopic, molecular docking and solubility studies.

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We explored the encapsulation of dietary plant flavonols fisetin and its chromophore 3-hydroxyflavone, within 2-hydroxypropyl-γ-cyclodextrin (HPγ-CDx) nano-cavity in aqueous solution using multi-spectroscopic approaches and molecular docking. Upon addition of HPγ-CDx, dramatic changes occur in the

Studies on the interactions between some flavonols and cyclodextrins.

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The interactions of some natural flavonols with alpha, beta- and gamma-Cds have been investigated. Guest molecules were galangin, kaempferol and quercetin. Inclusion complexes were prepared by kneading and freeze-drying. The complexes were characterized using different physico-chemical methods based

Structure-dependent modulation of substrate binding and biodegradation activity of Pirin proteins towards plant flavonols.

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Pirin is a non-heme metalloprotein that occurs widely in human tissues and is highly conserved across all taxa. Pirin proteins typically function as nuclear transcription regulators, but two Pirin orthologs, YhhW (from Escherichia coli) and hPirin (from humans) were revealed to possess enzymatic

Quercetin-dependent scavenging of reactive nitrogen species derived from nitric oxide and nitrite in the human oral cavity: interaction of quercetin with salivary redox components.

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In the human oral cavity, nitrite is reduced to nitric oxide (NO) by certain bacteria. The NO formed reacts with O2 to generate NO2 and then with NO2 producing N2O3. In this study, N2O3 produced by the reaction between NO and NO2 was detected by fluorescence increase due to the transformation of

Cranberry Polyphenols: Natural Weapons against Dental Caries.

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Bioactive polyphenol components of cranberry (Vaccinium macrocarpon) are known to have virulence attenuating effects against several cariogenic virulence properties responsible for dental caries pathogenesis. In particular, cranberry A-type proanthocyanidins and flavonols have demonstrated

Beyond organoleptic characteristics: the pharmacological potential of flavonoids and their role in leukocyte migration and in L-selectin and β2-integrin expression during inflammation.

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Flavonoids are compounds responsible for several organoleptic characteristics of plant-derived foods. They are also bioactive compounds with antiinflammatory role. Different mechanisms for this activity have been reported, but their effects on cell migration are not fully understood. In the present

Functional analysis of the copper-dependent quercetin 2,3-dioxygenase. 1. Ligand-induced coordination changes probed by X-ray crystallography: inhibition, ordering effect, and mechanistic insights.

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The crystal structures of the copper-dependent Aspergillus japonicus quercetin 2,3-dioxygenase (2,3QD) complexed with the inhibitors diethyldithiocarbamate (DDC) and kojic acid (KOJ) are reported at 1.70 and 2.15 A resolution, respectively. Both inhibitors asymmetrically chelate the metal center and

Effect of β-cyclodextrin on the molecular properties of myricetin upon nano-encapsulation: insight from optical spectroscopy and quantum chemical studies.

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Myricetin, a bioactive plant flavonol, readily forms inclusion complex with the drug delivery vehicle beta-cyclodextrin (β-CD). Appearance of typical "dual emission", consisting of normal (470 nm) and ESIPT tautomer (530 nm) bands, with concomitant rise in fluorescence intensity and dramatically

Effect of apigenin on surface-associated characteristics and adherence of Streptococcus mutans

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Apigenin is a type of flavonols that exhibits anti-caries properties. Bacterial adherence is the initial step in the forming of a stable biofilm that leads to caries. Bacterial adherence is affected by surface characteristics, including hydrophobicity and bacterial aggregation. However, the effect

Effect of beta-cyclodextrin nanocavity confinement on the photophysics of robinetin.

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We have studied the confinement of robinetin, a therapeutically active plant flavonol, in cyclodextrin (CDx) nanocavities, using steady state and time resolved fluorescence spectroscopy. Enhanced tautomer emission (arising from excited state intramolecular proton transfer (ESIPT)) as well as

Solution structure and function of YndB, an AHSA1 protein from Bacillus subtilis.

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The solution structure of the Bacillus subtilis protein YndB has been solved using NMR to investigate proposed biological functions. The YndB structure exhibits the helix-grip fold, which consists of a β-sheet with two small and one long α-helix, forming a hydrophobic cavity that preferentially

Anaerobic enzyme.substrate structures provide insight into the reaction mechanism of the copper-dependent quercetin 2,3-dioxygenase.

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Quercetin 2,3-dioxygenase (2,3QD) is the only firmly established copper dioxygenase known so far. Depending solely on a mononuclear Cu center, it catalyzes the breakage of the O-heterocycle of flavonols, producing more easily degradable phenolic carboxylic acid ester derivatives. In the enzymatic

Binding of phenolic compounds and their derivatives to bovine and reindeer beta-lactoglobulin.

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In plant-based food, phenolic compounds usually do not exist in their native form, but as esters, glycosides, or polymers. The native forms, however, require deglycosylation for their intestinal absorption, and aglycone has been considered to be the potential health-protecting/promoting form. The

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