Novel quinazoline-chromene hybrids as anticancer agents: Synthesis, biological activity, molecular docking, dynamics and ADME studies.
Humans
Molecular Docking Simulation
Structure-Activity Relationship
Benzopyrans
/ pharmacology
Quinazolines
/ pharmacology
Ligands
Vascular Endothelial Growth Factor A
/ pharmacology
Drug Screening Assays, Antitumor
Antineoplastic Agents
/ pharmacology
Molecular Dynamics Simulation
Molecular Structure
Cell Proliferation
Cell Line, Tumor
chromene
lung cancer
molecular docking
molecular dynamics
quniazoline
Journal
Archiv der Pharmazie
ISSN: 1521-4184
Titre abrégé: Arch Pharm (Weinheim)
Pays: Germany
ID NLM: 0330167
Informations de publication
Date de publication:
Nov 2023
Nov 2023
Historique:
revised:
31
08
2023
received:
02
08
2023
accepted:
02
09
2023
medline:
3
11
2023
pubmed:
22
9
2023
entrez:
22
9
2023
Statut:
ppublish
Résumé
In this study, new quinazoline-chromene hybrid compounds were synthesized. The cytotoxic effects on cell viability of the hybrid compounds were tested against A549 human lung adenocarcinoma and BEAS-2B healthy bronchial epithelial cell lines in vitro. In addition, the ability of the active compounds to inhibit cell migration was tested. Molecular docking studies were performed to evaluate the ligand-protein interactions, and molecular dynamics simulations were performed to determine the interactions and stability of ligand-protein complexes. In silico absorption, distribution, metabolism, and excretion (ADME) studies were conducted to estimate the drug-likeness of the compounds. Compounds 4 (IC
Identifiants
pubmed: 37736677
doi: 10.1002/ardp.202300423
doi:
Substances chimiques
Benzopyrans
0
Quinazolines
0
Ligands
0
Vascular Endothelial Growth Factor A
0
Antineoplastic Agents
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e2300423Subventions
Organisme : None
Informations de copyright
© 2023 Deutsche Pharmazeutische Gesellschaft.
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