The effect of cation-π interactions on the stability and electronic properties of anticancer drug Altretamine: a theoretical study.
AIM
Altretamine
DFT
NBO
anticancer drug
cation–π interaction
computational chemistry
crystal structure
hexamethylmelamine
Journal
Acta crystallographica. Section C, Structural chemistry
ISSN: 2053-2296
Titre abrégé: Acta Crystallogr C Struct Chem
Pays: England
ID NLM: 101620313
Informations de publication
Date de publication:
01 10 2020
01 10 2020
Historique:
received:
28
08
2020
accepted:
15
09
2020
entrez:
5
10
2020
pubmed:
6
10
2020
medline:
2
4
2021
Statut:
ppublish
Résumé
The present work utilizes density functional theory (DFT) calculations to study the influence of cation-π interactions on the electronic properties of the complexes formed by Altretamine [2,4,6-tris(dimethylamino)-1,3,5-triazine], an anticancer drug, with mono- and divalent (Li
Identifiants
pubmed: 33016269
pii: S2053229620012589
doi: 10.1107/S2053229620012589
doi:
Substances chimiques
Antineoplastic Agents
0
Cations
0
Coordination Complexes
0
Metals
0
Lithium
9FN79X2M3F
Sodium
9NEZ333N27
Altretamine
Q8BIH59O7H
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM