Unknown

Dataset Information

0

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


ABSTRACT: Introduction: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. Methods: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 in silico analysis. Results: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 in silico binding constant was 2?×?103?M-1. 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. Conclusion:These results suggest that the WTN may exert its biological effects, at least in part, via interaction with DNA.

SUBMITTER: Mehran S 

PROVIDER: S-EPMC6949734 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature

altmetric image

Publications

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

Mehran Shiva S   Rasmi Yousef Y   Karamdel Hamid Reza HR   Hossinzadeh Ramin R   Gholinejad Zafar Z  

Evidence-based complementary and alternative medicine : eCAM 20191224


<h4>Introduction</h4>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.<h4>Methods</h4>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 a  ...[more]

Similar Datasets

| S-EPMC9427788 | biostudies-literature
| S-EPMC4964418 | biostudies-literature
| S-EPMC3981731 | biostudies-literature
| S-EPMC9923809 | biostudies-literature
| S-EPMC6072532 | biostudies-literature
| S-EPMC9138790 | biostudies-literature
| S-EPMC4419221 | biostudies-literature
| S-EPMC3709184 | biostudies-literature
| S-EPMC6857657 | biostudies-literature
| S-EPMC7931193 | biostudies-literature