Open access
Sep 2026
Integrated Systems Toxicology Analysis and Molecular Dynamics Study Reveal the Potential Mechanism by which Benzo[a]pyrene Contributes to Depression in Lung Adenocarcinoma via RNASE1 Upregulation
Docking and MD analyses supported stable Bap–RNASE1 binding, involving hydrophobic interactions with key residues and a dominant low-energy conformational state, which provides molecular-level mechanistic insight into the cancer–depression comorbidity driven by environmental carcinogens.
Jing-Zhe Gao, Fu-Xiang Huang, Kun-Shuang Shen et al.
· ACS Omega · 0 citations