Spectroscopic and molecular docking studies on the interaction of troxerutin with DNA

Subastri, Ariraman; Ramamurthy, Chitteti; Arumugam, Suyavaran; Mareeswaran, Ramachandran; Rao, P. L. K. M.; Harikrishna, M.; Kumar, Mithilesh; Sujatha, Venugopal; Thirunavukkarasu, Chinnasamy

doi:10.1016/j.ijbiomac.2015.03.036

Cited by 42 publications

(15 citation statements)

References 51 publications

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“…This technique can effectively simulate the binding state of biological macromolecules with small molecules. The binding stability can be determined by the binding free energy values obtained in the molecular docking . In this work, molecular docking of quercetin with B‐DNA was simulated through Discovery Studio 4.1 to further evaluate the binding mode of quercetin with CT‐DNA ( Fig .…”

Section: Resultsmentioning

confidence: 99%

The Interaction Mode of Groove Binding Between Quercetin and Calf Thymus DNA Based on Spectrometry and Simulation

Sha

Niu

et al. 2017

Chemistry & Biodiversity

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Quercetin, a ubiquitous flavanoid, has numerous pharmacological effects, such as antioxidant and antitumor. Previous studies showed nucleic acids were the potential biological targets for antitumor medicine. For exploring the mechanism of DNA-target medicine, the interaction between quercetin and calf thymus DNA was studied based on the method of spectrometry and simulation in our study. Firstly, the interaction between quercetin and calf thymus DNA was confirmed by fluorescence spectrometry. Furthermore, circular dichroism, fluorescence polarization, competitive displacement assay, and salt concentration dependence assay were applied to search the interaction mode of quercetin-calf thymus DNA, which proved the existence of groove binding and electrostatic interaction. Meanwhile, quenching constant K , binding constant K and the number of binding sites n was calculated, inferring that the fluorescence quenching occurred by static quenching process, and the main acting force was hydrogen bond. Finally, molecular docking was used to simulate and analyze the interaction between quercetin and calf thymus DNA.

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Section: Resultsmentioning

confidence: 99%

The Interaction Mode of Groove Binding Between Quercetin and Calf Thymus DNA Based on Spectrometry and Simulation

Sha

Niu

et al. 2017

Chemistry & Biodiversity

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“…Further previous reports of TXER have illustrated that it has hepatoprotective effect against γ-radiation-induced lipid peroxidation [16], cell protection activity against UV radiation [17] and chemopreventive effect against colon carcinogenesis [18]. Recently we reported that TXER interrelates with DNA through grove binding mode [19]. Previous reports clearly demonstrated that, TXER is an emerging significant small molecule in rising clinical world.…”

Section: Introductionmentioning

confidence: 92%

Probing the interaction of troxerutin with transfer RNA by spectroscopic and molecular modeling

Subastri

Ramamurthy

Arumugam

et al. 2015

Journal of Photochemistry and Photobiology B: Biology

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“…TXER also exhibits various biological activities like, anti‐fibrinolytic, anti‐erythrocytic, antithrombotic (Boisseau et al, ), anti‐oxidant (Kessler, Ubeaud, Walter, Sturm, & Jung, ), anti‐inflammatory (Fan et al, ), radioprotective (Lee et al, ), and chemopreventive effects against colon carcinogenesis (Vinothkumar et al, ). Subsequently, we have reported that TXER interacts with DNA and tRNA through groove binding and external binding mode, and exhibits antimutagenic property (Subastri et al, ; Subastri, Ramamurthy, Suyavaran, Lokeswara Rao, et al, ; Subastri, Ramamurthy, Suyavaran, Mareeswaran, et al, ). Thomas et al () proved the antineoplastic effect of TXER against liver cancer.…”

Section: Introductionmentioning

confidence: 99%

Troxerutin with copper generates oxidative stress in cancer cells: Its possible chemotherapeutic mechanism against hepatocellular carcinoma

Subastri

Arumugam

Babu

et al. 2017

Journal Cellular Physiology

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Troxerutin (TXER) a rutin derivative is known for its anticancer effect against hepatocellular carcinoma (HCC). As part of large study, recently we have shown TXER interact with genetic material and its anti-mutagenic property. In the present study we have explored its possible mode of action in HCC. Since TXER alone did not show significant anticancer effect on Huh-7 cells, in vitro biochemical assays were performed for determining anticancer efficacy of TXER + metal complex using transition metals such as Cu, Zn, and Fe. The anticancer efficacy of TXER + Cu on Huh-7 cells were evaluated using MTT assay, DCFDA, JC-1 staining, comet assay, cell cycle analysis, immunocytochemistry, and Western blotting. Non-toxic nature of TXER was analyzed on primary rat hepatocytes. The in vivo efficacy of TXER was tested in N-nitrosodiethylamine initiated and γ-benzene hexachloride and partial hepatectomy promoted rat liver cancer. Liver markers, transition metal levels, histopathological examination, and expression levels of GST-P, 8-OHdG and Ki-67 were studied to assess the in vivo anticancer effect of TXER. We observed that TXER + Cu induced extensive cellular death on Huh-7 cells through generating free radicals and did not possess any toxic effect on normal hepatocytes. The in vivo studies revealed that TXER possess significant anti-cancer effect as assessed through improved liver markers and suppressed GST-P, 8-OHdG, and Ki-67 expression. TXER treatment reduced the hepatic Cu level in cancer bearing animals. Current study brings the putative mechanism involved in anti-cancer effect of TXER, further it will help to formulate phytoconstituents coupled anti-cancer drug for effective treatment of HCC.

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Spectroscopic and molecular docking studies on the interaction of troxerutin with DNA

Cited by 42 publications

References 51 publications

The Interaction Mode of Groove Binding Between Quercetin and Calf Thymus DNA Based on Spectrometry and Simulation

The Interaction Mode of Groove Binding Between Quercetin and Calf Thymus DNA Based on Spectrometry and Simulation

Probing the interaction of troxerutin with transfer RNA by spectroscopic and molecular modeling

Troxerutin with copper generates oxidative stress in cancer cells: Its possible chemotherapeutic mechanism against hepatocellular carcinoma

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