Study of the Binding Interaction between Wortmannin and Calf Thymus DNA: Multispectroscopic and Molecular Docking Studies.

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ID: 88680
2019
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Ranked #24 of 32 articles by views in Evidence-based complementary and alternative medicine : eCAM

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Abstract
Wortmannin (WTN) is a steroid metabolite that inhibits phosphatidylinositol 3-kinase and other signaling pathways. Structurally, the WTN consists of a cyclopentanophenanthrene-like structure with several oxygen-rich moieties which have the potential to interact with deoxyribonucleic acid (DNA) molecules.We aim to evaluate the WTN and calf thymus DNA (ct-DNA) interaction with molecular docking using the AutoDock 4.2 software. UV and fluorescence spectroscopy and viscosity techniques were performed to confirm the analysis.Molecular docking showed that the WTN interacted with ct-DNA via hydrogen bonds at guanine-rich sequences. The number of hydrogen bonds between the WTN and DNA was 1-2 bonds (average 1.2) per WTN molecule. The binding constant was 2 × 10 M. UV spectroscopy showed that the WTN induced a hyperchromic feature without wavelength shifting. The WTN and DNA interaction led to quenching of DNA-emitted fluorescence. The different concentrations of WTN had no effect on DNA viscosity. Taken together, our results demonstrated WTN interacts with DNA in the nonintercalating mode, which is considered as a new mechanism of action.These results suggest that the WTN may exert its biological effects, at least in part, via interaction with DNA.
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mehran2019studyevidencebased Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Mehran, Shiva;Rasmi, Yousef;Karamdel, Hamid Reza;Hossinzadeh, Ramin;Gholinejad, Zafar;
Journal Evidence-based complementary and alternative medicine : eCAM
Year 2019
DOI
10.1155/2019/4936351
URL
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