3-Arylquinoxaline-2(1H)-ones are significant scaffolds in medicinal chemistry due to their diverse biological and pharmacological activities, such as neuroprotective and anti-cancer activities. While photo-induced synthesis has emerged as a sustainable approach to these compounds, existing protocols often require exp...
You-Lu Pan, Jun Li, Zun-Yuan Wang et al.· Journal of Chemical Educatio...· 0 citations
This work designed and synthesized 20 novel KRAS G12D PROTACs based on the MRTX1133 derivative and found that compound VI-1 exhibited significant KRAS G12D degradation activity in PANC-0203 cells, achieving 69% effective degradation at 10 μM.
Lili Jiang, Wenyan Yang, Yanqing Liu et al.· European Journal of Pharmace...· 0 citations
A cascaded AI-driven virtual screening pipeline is developed, integrating sequence-based affinity prediction, equivariant deep learning docking (KarmaDock), and geometric rescoring (DeepDock) to identify novel AURKA inhibitor candidates.