Design and synthesis of new heterocyclic compounds containing 5-[(1
1
2
4-triazole-3-thiones
4-triazoles
docking
hEGFR
molecular modeling
thiosemicarbazides
Journal
Journal of biomolecular structure & dynamics
ISSN: 1538-0254
Titre abrégé: J Biomol Struct Dyn
Pays: England
ID NLM: 8404176
Informations de publication
Date de publication:
2023
2023
Historique:
medline:
27
11
2023
pubmed:
24
1
2023
entrez:
23
1
2023
Statut:
ppublish
Résumé
EGFR is one of the important mediators of the signaling cascade that determines key roles in various biological processes such as growth, differentiation, metabolism and apoptosis in the cell in response to external and internal stimuli. In recent years, it has been proven that although this enzyme activity is tightly regulated in normal cells, if the enzyme activity cannot be controlled, it can lead to malignancy. EGFR is also considered a prominent macromolecule in targeted cancer chemotherapy. For this purpose, a comprehensive modeling studies were conducted against EGFR protein and novel molecules containing 5-[(1
Identifiants
pubmed: 36688370
doi: 10.1080/07391102.2023.2167113
doi:
Substances chimiques
1,2,4-triazole
288-88-0
Thiones
0
Triazoles
0
Heterocyclic Compounds
0
ErbB Receptors
EC 2.7.10.1
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM