Structural Insight into the interaction of Flavonoids with Human Telomeric Sequence

Tawani, Arpita; Kumar, Amit

doi:10.1038/srep17574

Cited by 70 publications

(39 citation statements)

References 51 publications

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“…Therefore, the overall stabilization in T m was of 3 °C upon quercetin binding, although further systematic studies are required. These results are consistent with our CD results which state the binding of antiparallel G4 with quercetin and previously published reports [60][61][62][63][64].…”

Section: Thermodynamic Analysis Of the Human Telomeric And Bcl2 G-quasupporting

confidence: 94%

Screening the binding potential of quercetin with parallel, antiparallel and mixed G-quadruplexes of human telomere and cancer protooncogenes using molecular docking approach

et al. 2020

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The bioinformatics analysis revealed that more than 400,000 DNA sequences within the human genome have the potential of forming G-quadruplex structures. Specifically, G-quadruplexes have been proved to be involved in the regulation of replication, DNA damage repair, transcription and translation of cancer-related genes and hence a therapeutic target. Targeting G4 with small molecules may regulate its expression. Chemical molecules generally shows more cellular toxicity while natural small molecules are more bioavailable and hence shows high biological activity together with low toxicity. In the present study, we have screened the binding potential of quercetin with parallel, anti-parallel and mixed conformations of telomeric G-quadruplexes, cancer protoncogenes and RNA G-quadruplex using molecular docking approach. Our results suggest that the quercetin mainly binds with grooves of all selected G-quadruplxes and its planer aromatic rings stabilizes the structure by π-π stacking. The binding energies were in a range of − 40.24 to − 17.11 kcal/ mol, − 35.73 to − 18.09 kcal/mol, − 32.68 to − 22.47 kcal/mol for telomeric parallel, anti-parallel and mixed G-quadruplexes respectively. Further, binding energies of quercetin with selected cancer proto-oncogenes are in a range of − 38.67 to − 12.95 kcal/mol and − 14.8 and − 14.6 kcal/mol for selected RNA G-quadruplex. Hence, this study highlights the comparative differences in binding energies of quercetin even with a group of single conformation of G-quadruplex and helpful to evaluate the binding potential of quercetin to inhibit the activity of telomerases and down-regulate the expression of oncogenes and to be used as a potential anti-cancer agent.

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Section: Thermodynamic Analysis Of the Human Telomeric And Bcl2 G-quasupporting

confidence: 94%

Screening the binding potential of quercetin with parallel, antiparallel and mixed G-quadruplexes of human telomere and cancer protooncogenes using molecular docking approach

et al. 2020

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“…Moreover in last few years various ligands with synthetic and natural origin have been reported that binds to various human G-quadruplex DNA like telomeric DNA15, promoter region of c-myc DNA16. One of such naturally available small molecule is Piperine.…”

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confidence: 99%

Evidences for Piperine inhibiting cancer by targeting human G-quadruplex DNA sequences

Tawani

Amanullah

Mishra

et al. 2016

Sci Rep

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Piperine, a naturally occurring alkaloid, is well known as anti-oxidant, anti-mutagenic, anti-tumor and anti-proliferative agent. Piperine exerts such pharmacological activities by binding or interacting with various cellular targets. Recently, the first report for Piperine interaction with duplex DNA has been published last year but its interaction with G-quadruplex structures has not been studied yet. Herein, we report for the first time the interaction of Piperine with various DNA G-quadruplex structures. Comprehensive biophysical techniques were employed to determine the basis of interaction for the complex formed between Piperine and G-quadruplex DNA sequences. Piperine showed specificity for G-quadruplex DNA over double stranded DNA, with highest affinity for G-quadruplex structure formed at c-myc promoter region. Further, in-vitro studies show that Piperine causes apoptosis-mediated cell death that further emphasizes the potential of this natural product, Piperine, as a promising candidate for targeting G-quadruplex structure and thus, acts as a potent anti-cancer agent.

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“…O seu potencial para atuar como agentes anti-tumorigênicos e anti-proliferativos tem sido relatado, além de ter propriedades antiviral, antifúngica, antibacteriana, vasodilatador, anticancerígeno e anti-isquêmico (32)(33)(34).…”

Section: Resultsunclassified

PERFIL FITOQUÍMICO, SUSCEPTIBILIDADE ANTIBACTERIANA E CAPACIDADE ANTIOXIDANTE DAS FOLHAS DE Croton urucurana Baillon (Euphorbiaceae)

Silva

Alves²,

Sousa³

et al. 2017

Infarma

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Croton urucurana Baillon, popularly known as "sangria d'água", belongs to the Euphorbiaceae family. The species has a great importance in folk medicine as antibacterial, anti-inflammatory, antiseptic, antiviral, antidiarrheal, intestinal antisecretory and cicatrizant remedies. The objective of this study was to verify the presence, in the aqueous, ethanolic and hydroalcoholic extracts, of secondary metabolites (alkaloids, anthraquinones, steroids/triterpenoids, flavonoids, glycosides, saponins and tannins), analyze the inhibition of bacteria Staphylococcus aureus ATCC 25923 and Salmonella thyphimurium ATCC 14028 growth, and evaluate the antioxidant activity by the DPPH method. Considering the phytochemical profile, the best extract was the aqueous; the bacteria susceptibility was inhibited with the ethanolic extract; and the extract with the highest antioxidant activity was the hydroalcoholic, presenting IC 50 1.3 μg/ mL. It was concluded that the extracts of Croton urucurana Baillon show interesting results and that further investigations must be carried out for the better elucidation of its benefits. Keywords:Croton urucurana Baillon; phytochemical; antioxidant; antibacterial; extract. RESUMOCroton urucurana Baillon, espécie conhecida popularmente como "sangria d'água", pertence à família Euphorbiaceae, possui grande importância na medicina popular, a qual lhe atribui propriedades antibacterianas, anti-inflamató-rias, antissépticas, antivirais, antidiarreicas, antissecretória intestinal e cicatrizante. Os objetivos deste estudo foram verificar a presença, nos extratos aquoso, etanólico e hidroalcoólico, de metabolitos secundários (alcaloides, antraquinonas, esteroides/triterpenoides, flavonoides, glicosídeos, saponinas e taninos), analisar a inibição do crescimento das bactérias Staphylococcus aureus ATCC 25923 e Salmonella thyphimurium ATCC 14028, e verificar a atividade antioxidante através do método DPPH. Para o perfil fitoquímico o melhor extrato foi o aquoso, quanto à susceptibilidade bacteriana, houve inibição com o extrato etanólico e o extrato com a maior atividade antioxidante foi o hidroalcóolico, apresentando IC 50 1,3 μg/mL. Considerando os resultados obtidos no estudo, foi possível concluir que os extratos da Croton urucurana Baillon apresentam resultados interessantes e que mais investigações devem ser realizadas para a elucidação aprimorada dos seus benefícios.

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Structural Insight into the interaction of Flavonoids with Human Telomeric Sequence

Cited by 70 publications

References 51 publications

Screening the binding potential of quercetin with parallel, antiparallel and mixed G-quadruplexes of human telomere and cancer protooncogenes using molecular docking approach

Screening the binding potential of quercetin with parallel, antiparallel and mixed G-quadruplexes of human telomere and cancer protooncogenes using molecular docking approach

Evidences for Piperine inhibiting cancer by targeting human G-quadruplex DNA sequences

PERFIL FITOQUÍMICO, SUSCEPTIBILIDADE ANTIBACTERIANA E CAPACIDADE ANTIOXIDANTE DAS FOLHAS DE Croton urucurana Baillon (Euphorbiaceae)

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