Structure-based multitargeted docking screening, pharmacokinetics, DFT, and dynamics simulation studies reveal mitoglitazone as a potent inhibitor of cellular survival and stress response proteins of lung cancer

Abdulkarim S. Binshaya, Omar Saad Alkahtani,Fahad M. Aldakheel,Ahmed Hjazi,Hassan H. Almasoudi

Medical Oncology(2024)

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摘要
Lung cancer is a disease in which lung cells grow abnormally and uncontrollably, and the cause of it is direct smoking, secondhand smoke, radon, asbestos, and certain chemicals. The worldwide leading cause of death is lung cancer, which is responsible for more than 1.8 million deaths yearly and is expected to rise to 2.2 million by 2030. The most common type of lung cancer is non-small cell lung cancer (NSCLC), which accounts for about 80
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关键词
Multitargeted molecular docking,MM\GBSA,Pharmacokinetics,Mitoglitazone,Molecular dynamics simulation
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