Shanghai Cancer Institute

AI-driven drug design for head and neck squamous cell carcinoma using GNN and structure-based simulations

Head and neck squamous cell carcinoma (HNSCC) remains a major global health burden with limited targeted therapeutic options. Here we present an integrated artificial intelligence (AI)-driven drug discovery framework combining graph neural networks (GAT, GCN, AttentiveFP and GIN)...

PSMD11 promotes hepatocellular carcinoma progression by reprogramming lipid metabolism via SREBP1/2 and PPAR-γ

Abstract Dysregulation of the ubiquitin-proteasome system (UPS) plays a pivotal role in tumor progression. PSMD11, a non-ATPase regulatory subunit of the 26S proteasome, has been implicated as an oncogenic factor in several cancer types; however, its precise biological function a...