Insights into the inhibitory potential of novel hydrazinyl thiazole-linked indenoquinoxaline against alpha-amylase: a comprehensive QSAR, pharmacokinetic, and molecular modeling study.
Diabetes mellitus
QSAR
alpha-amylase
docking
molecular dynamics
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:
02 Feb 2024
02 Feb 2024
Historique:
medline:
2
2
2024
pubmed:
2
2
2024
entrez:
2
2
2024
Statut:
aheadofprint
Résumé
The rising prevalence of diabetes necessitates the development of novel drugs, especially given the side effects associated with current medications like Acarbose and Voglibose. A series of 36 Hydrazinyl thiazole-linked indenoquinoxaline derivatives with notable activity against alpha-amylase were studied. To create a molecular model predicting alpha-amylase activity, a QSAR study was performed on these compounds. Molecular descriptors were calculated using Chem3D and Gaussian software and then correlated with their IC
Identifiants
pubmed: 38305802
doi: 10.1080/07391102.2024.2310778
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM