In Silico Evaluation via Virtual Screening, ADMET Profiling and Molecular Dynamics Simulations: Synthesis and Biological Activity Analysis of a Novel Antitumor PI3K Inhibitor
The PI3K plays a crucial role in cancer progression, and the development of PI3K inhibitors has always been a hot research direction in oncology. Through virtual screening and docking, potential lead compounds were identified. ADMET prediction revealed that KTC101 possesses superior pharmacokinetic profile. Molecular d...