Negative hyperconjugation effect on the reactivity of phosphoramide mustard derivatives as a DNA alkylating agent: theoretical and experimental insights

2017 ◽  
Vol 41 (19) ◽  
pp. 11036-11052
Author(s):  
Mahyar Bonsaii ◽  
Khodayar Gholivand ◽  
Morteza Khosravi ◽  
Khosrou Abdi
Keyword(s):  
Alkylating Agent ◽  
Molecular Orbitals ◽  
Frontier Molecular Orbitals ◽  
Factors Affecting ◽  
Phosphoramide Mustard ◽  
Negative Hyperconjugation ◽  
Dna Alkylating Agent

In this work we suggest new factors affecting the reactivity of compounds similar to cyclophosphamide; as their reactivity mainly relies on the frontier molecular orbitals, the factors causing changes in the frontier molecular orbitals, alter the reactivity of these compounds too.

Prediction of Antiglycation Activity by Calculating the Energies of Frontier Molecular Orbitals for New 4-Hydroxy-1,4-Dihydroazolo[5,1-c]-1,2,4-Triazines Used as an Example

2020 ◽  
Vol 46 (6) ◽  
pp. 1278-1284
Author(s):  
R. A. Litvinov ◽  
R. A. Drokin ◽  
D. D. Shamshina ◽  
M. Yu. Kalenova ◽  
L. E. Usmianova ◽  
...  
Keyword(s):  
Molecular Orbitals ◽  
Frontier Molecular Orbitals

Polarized .pi.-frontier molecular orbitals. A method for predicting diastereofacial selectivities

1993 ◽  
Vol 115 (10) ◽  
pp. 4024-4030 ◽  
Author(s):  
Xiao Ling Huang ◽  
J. J. Dannenberg ◽  
Miquel Duran ◽  
Juan Bertran
Keyword(s):  
Molecular Orbitals ◽  
Frontier Molecular Orbitals

Intracellular activation of 4-hydroxycyclophosphamide into a DNA-alkylating agent in human leucocytes

Xenobiotica ◽  
2021 ◽  
pp. 1-33
Author(s):  
Minghan Yong ◽  
Kathryn Elisa Burns ◽  
Janak de Zoysa ◽  
Nuala A Helsby
Keyword(s):  
Alkylating Agent ◽  
Dna Alkylating Agent

PD-0833 Exploiting tumor DNA repair status with the novel hypoxia-activated DNA alkylating agent CP-506

2021 ◽  
Vol 161 ◽  
pp. S669
Author(s):  
A. van der Wiel ◽  
A. Yaromina ◽  
N. Lieuwes ◽  
R. Biemans ◽  
J. Theys ◽  
...  
Keyword(s):  
Dna Repair ◽  
Alkylating Agent ◽  
The Novel ◽  
Tumor Dna ◽  
Dna Alkylating Agent
Sign in / Sign up

Export Citation Format

Share Document