Determination of comprehensive in silico determinants as a strategy for identification of novel PI3Kα inhibitors

The PI3KCA gene functions by activating cascade signaling pathways leading to cell proliferation, survival, and growth. Being one of the frequently aberrant kinase in various malignancies, isoform selectivity among kinases remains a challenging aspect. In present study, efforts have been made to conceptualize determinants that are responsible for PI3Kα inhibition. Drug design techniques such as 3D-QSAR models, e-pharmacophore models, and...