Synthesis, Molecular Dynamics Simulation, and In-vitro Antitumor Activity of Quinazoline-2,4,6-triamine Derivatives as Novel EGFR Tyrosine Kinase Inhibitors.
Maryam Nili AhmadabadiElham RezaeeManijeh NematpourLeila KaramiShaya MokhtariFarzad KobarfardSayyed Abbas TabatabaiPublished in: Iranian journal of pharmaceutical research : IJPR (2023)
Compound 10e had an extensive range of antitumor activity on three diverse cell lines comparable with erlotinib and doxorubicin reference drugs. Also, compound 10d showed selective cytotoxicity against cancerous lung cells (A-549). On the other side, computational studies confirmed that Met 769 is a crucial residue in interaction with all inhibitors.
Keyphrases
- molecular dynamics simulations
- epidermal growth factor receptor
- tyrosine kinase
- induced apoptosis
- molecular docking
- small cell lung cancer
- cell cycle arrest
- advanced non small cell lung cancer
- drug delivery
- endoplasmic reticulum stress
- cancer therapy
- signaling pathway
- chronic myeloid leukemia
- cell proliferation
- drug induced
- amino acid
- structure activity relationship