scholarly journals Epirubicin-calf thymus DNA interaction: a comprehensive investigation using molecular docking, spectroscopy and fluorescent quantum dots

2018 ◽  
Vol 64 (7) ◽  
pp. 1
Author(s):  
Abbas Hemati Azandaryani ◽  
Ali Barati ◽  
Mohsen Shahlaei ◽  
Mojtaba Shamsipur ◽  
Sajad Moradi ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Molecular Docking ◽  
Dna Interaction ◽  
Calf Thymus Dna ◽  
Comprehensive Investigation ◽  
Calf Thymus

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

2019 ◽  
Vol 2019 ◽  
pp. 1-7
Author(s):  
Shiva Mehran ◽  
Yousef Rasmi ◽  
Hamid Reza Karamdel ◽  
Ramin Hossinzadeh ◽  
Zafar Gholinejad
Keyword(s):  
Molecular Docking ◽  
Hydrogen Bonds ◽  
In Silico ◽  
Uv Spectroscopy ◽  
Biological Effects ◽  
Dna Interaction ◽  
Calf Thymus Dna ◽  
Binding Interaction ◽  
Calf Thymus ◽  
Ct Dna

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.

Studies on free radical scavenging, cancer cell antiproliferation, and calf thymus DNA interaction of Schiff bases

2017 ◽  
Vol 172 ◽  
pp. 129-138 ◽  
Author(s):  
Cleiton M. da Silva ◽  
Marina M. Silva ◽  
Fabiano S. Reis ◽  
Ana Lúcia T.G. Ruiz ◽  
João E. de Carvalho ◽  
...  
Keyword(s):  
Free Radical ◽  
Schiff Bases ◽  
Cancer Cell ◽  
Radical Scavenging ◽  
Dna Interaction ◽  
Free Radical Scavenging ◽  
Calf Thymus Dna ◽  
Calf Thymus

Binding of an anionic fluorescent probe with calf thymus DNA and effect of salt on the probe–DNA binding: a spectroscopic and molecular docking investigation

RSC Advances ◽  
2014 ◽  
Vol 4 (108) ◽  
pp. 63549-63558 ◽  
Author(s):  
Saptarshi Ghosh ◽  
Pronab Kundu ◽  
Bijan Kumar Paul ◽  
Nitin Chattopadhyay
Keyword(s):  
Molecular Docking ◽  
Dna Binding ◽  
Fluorescent Probe ◽  
Binding Mode ◽  
Docking Studies ◽  
Calf Thymus Dna ◽  
Molecular Docking Studies ◽  
Biologically Relevant ◽  
Calf Thymus

Binding mode of biologically relevant anionic probe, ANS, with ctDNA is divulged from spectroscopic and molecular docking studies.

Binding Studies of Isoxsuprine Hydrochloride to Calf Thymus DNA Using Multispectroscopic and Molecular Docking Techniques

2017 ◽  
Vol 28 (1) ◽  
pp. 195-206 ◽  
Author(s):  
Sadegh Salehzadeh ◽  
Farshid Hajibabaei ◽  
Neda Hosseinpour Moghadam ◽  
Samira Sharifinia ◽  
Sadegh Khazalpour ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Calf Thymus Dna ◽  
Binding Studies ◽  
Calf Thymus
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