Exploration of thiazolidine-2,4-diones as tyrosine kinase inhibitors: Design, synthesis, ADMET, docking, and antiproliferative evaluations.
Humans
Sorafenib
/ pharmacology
Structure-Activity Relationship
Erlotinib Hydrochloride
/ pharmacology
ErbB Receptors
/ metabolism
Antineoplastic Agents
/ chemistry
Thiazolidines
/ pharmacology
Vascular Endothelial Growth Factor Receptor-2
Tyrosine Kinase Inhibitors
Cell Proliferation
Molecular Docking Simulation
Protein Kinase Inhibitors
/ chemistry
Drug Screening Assays, Antitumor
Lung Neoplasms
Mutation
Molecular Structure
Drug Design
antiproliferative agents
dual inhibition of VEGFR-2/EGFRT790M
molecular docking
thiazolidine-2,4-diones
Journal
Archiv der Pharmazie
ISSN: 1521-4184
Titre abrégé: Arch Pharm (Weinheim)
Pays: Germany
ID NLM: 0330167
Informations de publication
Date de publication:
Mar 2023
Mar 2023
Historique:
revised:
27
10
2022
received:
05
09
2022
accepted:
31
10
2022
pubmed:
21
11
2022
medline:
3
3
2023
entrez:
20
11
2022
Statut:
ppublish
Résumé
As dual EGFR and VEGFR-2 inhibitors, 22 innovative thiazolidine-2,4-diones were modeled, constructed, and measured for their anticancer performance versus four human neoplasms HCT-116, MCF-7, A549, and HepG2. Molecular docking and MD simulation were performed to inspect the binding technique of the proffered congeners with the EGFR and VEGFR-2 receptors. Evidence realized thanks to the docking inquests was vastly consistent together with that detected through the biological screening. Structures 14a and 14g emerged as the most active compounds toward HCT116 (IC
Identifiants
pubmed: 36403198
doi: 10.1002/ardp.202200465
doi:
Substances chimiques
Sorafenib
9ZOQ3TZI87
Erlotinib Hydrochloride
DA87705X9K
ErbB Receptors
EC 2.7.10.1
Antineoplastic Agents
0
Thiazolidines
0
Vascular Endothelial Growth Factor Receptor-2
EC 2.7.10.1
Tyrosine Kinase Inhibitors
0
Protein Kinase Inhibitors
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e2200465Informations de copyright
© 2022 Deutsche Pharmazeutische Gesellschaft.
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