In-silico prediction of potential inhibitors against phosphatidylinositol 3-kinase catalytic subunit alpha involved in head and neck squamous cell carcinomas

Molecular docking and dynamics based approach for the identification of kinase inhibitors targeting PI3Kα against non-small cell lung cancer: a computational study

“…Numerous researchers already use computational approaches to investigate PI3K inhibitors, particularly from natural products, and for specific malignancies by targeting PI3Kα in previous studies; 11–14 however, there is no research on the identification of kinase inhibitors against PI3Kα by structure-based virtual screening approaches and comparison with the PI3K pan-inhibitor Copanlisib. PI3Kα is a kinase enzyme, and so kinase inhibitors are chosen because they inhibit the auto-phosphorylation of the tyrosine residues of the protein.…”