Design, synthesis, molecular docking and anti-proliferative evaluations of [1,2,4]triazolo[4,3-a]quinoxaline derivatives as DNA intercalators and Topoisomerase II inhibitors.
Antineoplastic Agents
/ chemical synthesis
Cell Proliferation
/ drug effects
DNA
/ chemistry
DNA Topoisomerases, Type II
/ metabolism
Dose-Response Relationship, Drug
Drug Design
Drug Screening Assays, Antitumor
Humans
Intercalating Agents
/ chemical synthesis
Molecular Docking Simulation
Molecular Structure
Quinoxalines
/ chemical synthesis
Structure-Activity Relationship
Topoisomerase II Inhibitors
/ chemical synthesis
Triazoles
/ chemical synthesis
Tumor Cells, Cultured
Anticancer agents
DNA intercalators
Molecular docking
Top II inhibitors
[1,2,4]Triazolo[4,3-a]quinoxaline
Journal
Bioorganic chemistry
ISSN: 1090-2120
Titre abrégé: Bioorg Chem
Pays: United States
ID NLM: 1303703
Informations de publication
Date de publication:
12 2020
12 2020
Historique:
received:
26
06
2020
revised:
27
09
2020
accepted:
17
10
2020
pubmed:
29
10
2020
medline:
17
6
2021
entrez:
28
10
2020
Statut:
ppublish
Résumé
In view of their DNA intercalation activities as anticancer agents, novel twenty four [1,2,4]triazolo[4,3-a]quinoxaline derivatives have been designed, synthesized and evaluated against HepG2, HCT-116 and MCF-7 as DNA intercalators and Top II enzyme inhibitors. The data obtained from molecular modeling studies revealed that, our small aromatic molecules were concluded to act through two ways firstly, through non-covalent interaction with the directly bound proteins to DNA hence inhibit topoisomerase-II enzyme. The second is through non-covalently binding to double helical structures of DNA either by intercalating binder as in compounds 10
Identifiants
pubmed: 33113414
pii: S0045-2068(20)31697-7
doi: 10.1016/j.bioorg.2020.104399
pii:
doi:
Substances chimiques
1,2,4-triazolo(4,3-a)quinoxaline
0
Antineoplastic Agents
0
Intercalating Agents
0
Quinoxalines
0
Topoisomerase II Inhibitors
0
Triazoles
0
DNA
9007-49-2
calf thymus DNA
91080-16-9
DNA Topoisomerases, Type II
EC 5.99.1.3
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
104399Informations de copyright
Copyright © 2020 Elsevier Inc. All rights reserved.