Discovery of a first-in-class small molecule ligand for WDR91 using DNA-encoded chemical library selection followed by machine learning
Shabbir Ahmad, Jin Bao Xu, Jianwen A. Feng, Ashley Hutchinson, Hong Zeng, Pegah Ghiabi, Aiping Dong, Paolo A. Centrella, Matthew Clark, Marie-Aude Guié, John P. Guilinger, Anthony D. Keefe, Ying Zhang, Thomas Cerruti, John W. Cuozzo, , Levon Halabelian
The paper identifies a first-in-class small molecule ligand for WDR91 using DNA-encoded chemical library selection and machine learning, leading to the discovery of covalent analogs and structural insights.
Journal of Medicinal Chemistry · Nov 23, 2023Peer-reviewedMolecular Biology