Molecular Modeling Study of Quercetin and their Metal Complexes

Rajendran, M.; Ravichandran, R.; Devapiriam, D.

doi:10.5120/7937-1266

Cited by 6 publications

(6 citation statements)

References 19 publications

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“…Liver, the main storage site of iron, can induce oxidative stress due to excessive iron in environment (Alexander, Tung, Croghan, & Kowdley, 2007; Qiet al., 2019). The quercetin catechol structure with its 3‐ and 5‐OH groups and 4‐oxo group can chelate Fe 2+ to form semiquinones and quinones (Rajendran, Ravichandran, & Devapiriam, 2012). Iron chelation by quercetin can significantly reduce lipid protein oxidation as well as iron and collagen (a marker of liver fibrosis) in the liver.…”

Section: Quercetin Transport To Liver Metabolism and Its Bioactivitiesmentioning

confidence: 99%

Advance on the absorption, metabolism, and efficacy exertion of quercetin and its important derivatives

Zhang

Liang

et al. 2020

Food Frontiers

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Quercetin, a dietary flavonol, has been used as potential ingredient in food supplements to promote health. Its health effects are closely related to its bioavailability and further depend on its absorption, metabolism and excretion in vivo. Here, we systematically summarized the absorption and metabolism of quercetin in human intestine, liver, and kidney, highlighting the transport and metabolic pathways, intermediate metabolites, and circulation channels involving quercetin. The bioactivities of quercetin on theintestine, liver, and kidney were also considered. In general, except for passive diffusion, different transporters (e.g., SGLT1,OATPs, and MRPs) participate in the transport of quercetin and its metabolites across biological barriers. Quercetin undergoes phase II metabolism after absorption by the intestine and is finally excreted into bile through liver or urine through kidney. Quercetin can protect the intestinal barrier and modulate the microflora. Moreover, its antioxidant, anti-inflammatory, and anti-fibrotic activities protect the liver and kidney.

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Section: Quercetin Transport To Liver Metabolism and Its Bioactivitiesmentioning

confidence: 99%

Advance on the absorption, metabolism, and efficacy exertion of quercetin and its important derivatives

Zhang

Liang

et al. 2020

Food Frontiers

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“…Therefore, the higher scavenging ability of methanol extract can be related to its correspondingly higher levels of TPC, TFC, and TAC. The hydrogen-donating ability of phenolics to scavenge free radical can be characterized by the bond dissociation energy of OH bond [56] , whereas the electron-donating ability of these compounds seems to be associated with an extended electronic delocalization over the entire molecule [57] . Meanwhile, the higher scavenging activity of ethanol extract compared with water extract is very probably related to differences in the amounts of TCC, TSC, and vitamin E. A detailed study on the electron-donating capacity of carotenoids has been reported by Tan et al [58] .…”

Section: Scavenging Activity Against Dpph and Abts + Radicalsmentioning

confidence: 99%

Phytochemicals and Antioxidant Properties of Solvent Extracts from Purslane (Portulaca oleracea L.): A Preliminary Study

Habibian¹,

Sadeghi

Karimi

2020

FSE

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A systematic study was conducted about the solvent effect on the purslane total phenolic, flavonoid, alkaloid, carotenoid, saponin, vitamin E, and vitamin C contents as well as to evaluate their contribution to overall antioxidant activity. Among three solvents investigated, water could extract the highest levels of solid and saponin contents, whereas methanol was more effective for obtaining phenolic, flavonoid, and alkaloid compounds than other solvents. Meanwhile, ethanol was the best choice for extracting carotenoids and vitamin E. In various experimental models including DPPH radical scavenging activity, ABTS+ radical scavenging activity, and ferric reducing antioxidant power, methanol extract consistently showed significantly greater antioxidant activity than other extracts, while ethanol extract provided the most efficient inhibiting activity against ferrous chloride-induced oxidation of linoleic acid. In addition, the scavenging efficiency of ethanol extract toward DPPH and ABTS+ radicals was significantly higher than the water extract, and vice versa was the case for ferric reducing antioxidant power. Overall, methanol was found to be the most favorable solvent for the extraction of phenolic, flavonoid, and alkaloid compounds that are promising as natural antioxidants. However, different solvents may be used to extract specific antioxidant compounds with distinctive antioxidant activity.

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“…Cyanidin can act as a chelator of various metal ions such as Fe 2+ , Co 2+ , Ni 2+ , Cu 2+ Zn 2+ 26 . There are sites in each flavonoid and anthocyanin molecule which can interact with metal ions such as the 3',4'-dihydroxy group on the B ring 27 , the 3-hydroxy or 5-hydroxy 28 , and the 4-carbonyl groups in the C ring 26 . Due to the presence of this structure, Cyanidin 3,5 diglucoside easily chelates metals and creates MAC.…”

Section: Complex Compound Identificationmentioning

confidence: 99%

INVESTIGATING NATURAL TRANSITION METAL COORDINATION ANTHOCYANIN COMPLEX IN JAVA PLUM (Syzygium cumini) FRUIT AS FREE RADICAL SCAVENGING

Sukmaningsih¹,

Permana²,

Santjojo³

et al. 2018

RJC

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This research aimed to prove the existing natural transition of Metal Coordination Anthocyanin complex (MAC) from the freeze-dried of Java plum (Syzygium cumini) fruit and its role as free radical scavenging. The Liquid Chromatography-Mass Spectrometry (LCMS) analysis showed the presence of anthocyanin in the fruit, while transition metals of Fe, Cu, and Ni were also found as detected by X-Ray Fluorescence (XRF). The Fourier Transform Infrared Spectroscopy (FTIR) spectra revealed the interaction of organic functional groups with transition metals. These facts were supported by X-Ray Powder Diffraction (XRD) and polarizing microscope images which displayed both amorphous and crystallite microstructures related to organic and bioinorganic content in the fruit. The analysis of complex compound indicated the transition metal as coordinator atom and a cyanidin acts as a chelator among anthocyanins existing in the fruit. The paramagnetic property of MAC in the fruit as a free radical scavenger was demonstrated by the reduction of 1, 1-diphenyl-2-picrylhydrazyl (DPPH) radical intensity in the Electron Spin Resonance (ESR) spectrum. These findings suggested that S.cumini fruit contains naturally existing MAC.

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Molecular Modeling Study of Quercetin and their Metal Complexes

Cited by 6 publications

References 19 publications

Advance on the absorption, metabolism, and efficacy exertion of quercetin and its important derivatives

Advance on the absorption, metabolism, and efficacy exertion of quercetin and its important derivatives

Phytochemicals and Antioxidant Properties of Solvent Extracts from Purslane (Portulaca oleracea L.): A Preliminary Study

INVESTIGATING NATURAL TRANSITION METAL COORDINATION ANTHOCYANIN COMPLEX IN JAVA PLUM (Syzygium cumini) FRUIT AS FREE RADICAL SCAVENGING

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