Identification of novel PI3Kα inhibitors for colon cancer treatment via virtual screening, molecular dynamics simulation, and in vitro activity validation

  • Mol Divers. 2026 Jan 14. doi: 10.1007/s11030-025-11462-6.
Yu-Chen Wang  #  1 ,  Xue Su  #  2 ,  Xiang-Long Chen  2 ,  Xiu-Yun Shi  2 ,  Zhou-Lan Bai  3 ,  Hui Zhang  4  5
Affiliations
  • 1. Department of Third Oncology Surgery, General Hospital of Ningxia Medical University, Xingqing District, Yinchuan, 750004, People's Republic of China.
  • 2. College of Life Science, Northwest Normal University, Lanzhou, 730070, Gansu, People's Republic of China.
  • 3. Department of Third Oncology Surgery, General Hospital of Ningxia Medical University, Xingqing District, Yinchuan, 750004, People's Republic of China. [email protected].
  • 4. College of Life Science, Northwest Normal University, Lanzhou, 730070, Gansu, People's Republic of China. [email protected].
  • 5. State Key Laboratory of Biotherapy and Cancer Center, West ChinaHospital, West China Medical School, Sichuan University, Chengdu, 610041, Sichuan, People's Republic of China. [email protected].
  • # Contributed equally.
PMID: 41533018 DOI: 10.1007/s11030-025-11462-6
Keywords
In vitro assay; Molecular docking; Molecular dynamics; PI3Kα inhibitor.
Products
  • Cat. No.
    Product Name
    Description
    Target
    Research Area
  • HY-181150
    Hit20
    PI3Kα Inhibitor
    target: PI3K
    Research Areas: Cancer