Molecular docking of citrus flavonoids with some targets related to diabetes

Shen, Wei; Lu, Yan

doi:10.3329/bjp.v8i2.14240

Cited by 21 publications

(23 citation statements)

References 30 publications

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“…Supportive to this suggestion is our recent work using transmission electron microscopy, showing an enshrouding or total entrapment of RTV by soluble and particulate proanthocyanidins ( Lipson et al, 2011 , 2012 ). As similarly recognized among the proanthocyanidin group of flavonoids, hesperidin and its aglycone hesperitin function in part, as protein adsorbents, supporting our proposed mechanism of GH-associated RTV capsid antigen loss of activity (see the works by Ding et al, 2012 ; Chakraborty et al, 2013 ; Shen and Lu, 2013 ). On the organismic level notably, it is interesting to note that the water soluble trisaccharide GH retains the same biological activities as its rutinose-contaning hesperidin glycoside core molecule ( Yamada et al, 2006 ).…”

Section: Resultssupporting

confidence: 82%

Comparison of α-glucosyl hesperidin of citrus fruits and epigallocatechin gallate of green tea on the Loss of Rotavirus Infectivity in Cell Culture

et al. 2015

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A number of secondary plant metabolites (e.g., flavonoids) possess antiviral/antimicrobial activity. Most flavonoids, however, are difficult to study, as they are immiscible in water-based systems. The relatively new semisynthetic α-glucosyl hesperitin (GH), and the natural plant product epigallocatechin gallate (EGCG) are unique among most flavonoids, as these flavonoids are highly soluble. The antiviral activity of these plant metabolites were investigated using the rotavirus as a model enteric virus system. Direct loss of virus structural integrity in cell-free suspension and titration of amplified RTV in host cell cultures was measured by a quantitative enzyme-linked immunosorbent assay (qEIA). After 30 min. 100 × 103 μg/ml GH reduced RTV antigen levels by ca. 90%. The same compound reduced infectivity (replication in cell culture) by a similar order of magnitude 3 to 4 days post inoculation. After 3 days in culture, EGCG concentrations of 80, 160, and 320 μg/ml reduced RTV infectivity titer levels to ca. 50, 20, and 15% of the control, respectively. Loss of RTV infectivity titers occurred following viral treatment by parallel testing of both GH and EGCG, with the latter, markedly more effective. Cytotoxicity testing showed no adverse effects by the phenolic concentrations used in this study. The unique chemical structure of each flavonoid rather than each phenolic’s inherent solubility may be ascribed to those marked differences between each molecule’s antiviral (anti-RTV) effects. The solubility of EGCG and GH obviated our need to use potentially confounding or obfuscating carrier molecules (e.g., methanol, ethanol, DMSO) denoting our use of a pure system environ. Our work further denotes the need to address the unique chemical nature of secondary plant metabolites before any broad generalizations in flavonoid (antiviral) activity may be proposed.

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Section: Resultssupporting

confidence: 82%

Comparison of α-glucosyl hesperidin of citrus fruits and epigallocatechin gallate of green tea on the Loss of Rotavirus Infectivity in Cell Culture

et al. 2015

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“…In the present study, the liver samples obtained from diabetic rats treated orally with IL8 sprout extract (300mg/kg bw), daily for 21 days demonstrated the predominant levels of activated glycogen synthase (non-phosphorylated form), in contrast to maximum phosphorylated GS levels found in hepatic tissue of un-treated diabetic rats and thus corroborated well with previous reports on citrus fruits 31 .…”

Section: Effect Of Extract On Dysregulated Insulin Signalling Pathwaysupporting

confidence: 79%

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2016

IJPSR

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Recent reports show that germination process increases the hypoglycemic activity of seeds many fold, and can act in a better way for diabetes management. Despite large use of fenugreek seeds than any part of the plant for the treatment of broad range of maladies including diabetes, the anti-diabetic effects of germinated seeds have not been assessed. In the present study, the effect of 21 days oral administration of germinated fenugreek seed extracts (100mg/kg bw, 200mg/kg bw, and 300mg/kg bw) on various biochemical markers like blood, glucose, blood insulin, hepatic glycogen content and key molecular markers of insulin signalling pathway in STZ-induced diabetic rats were assessed. Compared to its respective seed extract, the aqueous sprout extracts from IL8 seed genotype showed significantly higher hypoglycemic activity against the diabetic state and the best dose was established to be 300mg/kg bw. The antidiabetic effect of sprout extracts were quite comparable to standard antidiabetic drug, Voglibiose (1mg/kg bw). The germinated seed extract normalised significantly, various dysregulated biochemical and molecular markers of insulin signalling pathway than their seeds including Akt2 and GSK-3β and GS in the diabetic rats within 21 days of experimental period. To best of our knowledge, we report for the first time that germination of fenugreek seeds increases their antdiabetic activity many fold than their respective seeds. We also demonstrated a mechanistic rationale of germinated fenugreek seeds to be used alone or as an adjuvant to current therapies for better management of diabetes.

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“…Docking analysis provided a number of configurations that were scored to determine favorable binding modes. Ten flavonoid structures presenting high scores of docking than previously reported data [34, 35]were shown in Fig. 5.…”

Section: Resultsmentioning

confidence: 73%

Homology modeling and docking analysis of ßC1 protein encoded by Cotton leaf curl Multan betasatellite with different plant flavonoids

Sarwar

Riaz

Nahid

et al. 2019

Heliyon

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Cotton leaf curl Multan virus (CLCuMuV) belonging to begomoviruses (Family Geminiviridae ) can infect cotton and many other agricultural crops. Betasatellite associated with CLCuMuV i.e., cotton leaf curl Multan betasatellite (CLCuMuB) is a small circular single-stranded deoxyribose nucleic acid (ssDNA) molecule that is essential for CLCuMuV to induce disease symptoms. Betasatellite molecule contains a ßC1 gene encoding for a pathogenicity determinant multifunctional protein, which extensively interacts with host plant machinery to cause virus infection. In this study the interaction of ßC1 with selected plant flavonoids has been studied. The study was focused on sequence analysis, three-dimensional structural modeling and docking analysis of ßC1 protein of CLCuMuB. Sequence analysis and physicochemical properties showed that ßC1 is negatively charged protein having more hydrophilic regions and is not very stable. Three-dimensional model of this protein revealed three helical, four beta pleated sheets and four coiled regions. The score of docking experiments using flavonoids as ligand indicated that plant flavonoids robinetinidol-(4alpha,8)-gallocatechin, quercetin 7-O-beta-D-glucoside, swertianolin, 3′,4′,5-trihydroxy-3-methoxyflavon-7-olate, agathisflavone, catiguanin B, 3′,4′,5,6-tetrahydroxy-3,7-dimethoxyflavone, quercetin-7-O-[alpha-L-rhamnopyranosyl(1->6)-beta-D-galactopyranoside], prunin 6″-O-gallate and luteolin 7-O-beta-D-glucosiduronic acid have strong binding with active site of ßC1 protein. The results obtained from this study clearly indicate that flavonoids are involved in defense against the virus infection, as these molecules binds to the active site of ßC1 protein. This information might be interesting to study plant defense mechanism based on the special compounds produced by the plants.

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Molecular docking of citrus flavonoids with some targets related to diabetes

Cited by 21 publications

References 30 publications

Comparison of α-glucosyl hesperidin of citrus fruits and epigallocatechin gallate of green tea on the Loss of Rotavirus Infectivity in Cell Culture

Comparison of α-glucosyl hesperidin of citrus fruits and epigallocatechin gallate of green tea on the Loss of Rotavirus Infectivity in Cell Culture

Untitled

Homology modeling and docking analysis of ßC1 protein encoded by Cotton leaf curl Multan betasatellite with different plant flavonoids

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