The influence of 5-fluorouracil anticancer drug on the DNA base pairs; a quantum chemical study

2018 ◽  
Vol 37 (1) ◽  
pp. 1-19 ◽  
Author(s):  
Ebrahim Nakhaei ◽  
Alireza Nowroozi ◽  
Fateme Ravari
Keyword(s):  
Anticancer Drug ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

Electronic structure of an anticancer drug DC81 and its interaction with DNA base pairs

2016 ◽  
Author(s):  
Gargi Tiwari ◽  
Dipendra Sharma ◽  
K. K. Dwivedi ◽  
M. K. Dwivedi
Keyword(s):  
Electronic Structure ◽  
Anticancer Drug ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

Unnatural Covalent DNA Base Pairing:  Quantum Chemical Study

2002 ◽  
Vol 106 (40) ◽  
pp. 9319-9324 ◽  
Author(s):  
Eugene S. Kryachko ◽  
Minh Tho Nguyen
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Base Pairing ◽  
Dna Base

Water-Mediated Base Pairs in RNA:  A Quantum-Chemical Study

2000 ◽  
Vol 104 (47) ◽  
pp. 11177-11187 ◽  
Author(s):  
M. Brandl ◽  
M. Meyer ◽  
J. Sühnel
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Base Pairs

IMPORTANCE OF CHARGE TRANSFER EXCITATIONS IN DNA ELECTRON SPECTRUM: A ZINDO SEMIEMPIRICAL QUANTUM-CHEMICAL STUDY

2004 ◽  
Vol 18 (16) ◽  
pp. 825-831 ◽  
Author(s):  
E. B. STARIKOV
Keyword(s):  
Charge Transfer ◽  
Quantum Chemical ◽  
Spectral Band ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Molecular Orbitals ◽  
Base Pairs ◽  
Purine Base ◽  
Dna Conformations

Electron spectra of DNA model compounds, adenosine-thymidine and guanosine-cytidine nucleoside base pairs, as well as the relevant homogeneous stacked base pair steps in A-DNA and B-DNA conformations, were investigated using ZINDO semiempirical quantum-chemical method. This work confirms that, in DNA with intact Watson–Crick hydrogen bonding and base stacking, the highest occupied molecular orbitals (HOMO) are residing on purine base residues, whereas the lowest unoccupied molecular orbitals (LUMO) — on pyrimidine base residues. In general, the present results are satisfactorily comparable with the available experimental data. The role of charge transfer excitations in the polymer DNA 260 nm spectral band is discussed.

Intercalation of Daunomycin into Stacked DNA Base Pairs. DFT Study of an Anticancer Drug

2008 ◽  
Vol 26 (1) ◽  
pp. 115-129 ◽  
Author(s):  
Giampaolo Barone ◽  
Célia Fonseca Guerra ◽  
Noemi Gambino ◽  
Arturo Silvestri ◽  
Antonino Lauria ◽  
...  
Keyword(s):  
Anticancer Drug ◽  
Dft Study ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs
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