3D-QSAR, Molecular Docking, and MD Simulations of Anthraquinone Derivatives as PGAM1 Inhibitors

• Main Authors: Yuwei Wang (Author), Yifan Guo (Author), Shaojia Qiang (Author), Ruyi Jin (Author), Zhi Li (Author), Yuping Tang (Author), Elaine Lai Han Leung (Author), Hui Guo (Author), Xiaojun Yao (Author)
• Format: Book
• Published: Frontiers Media S.A., 2021-11-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

PGAM1 is overexpressed in a wide range of cancers, thereby promoting cancer cell proliferation and tumor growth, so it is gradually becoming an attractive target. Recently, a series of inhibitors with various structures targeting PGAM1 have been reported, particularly anthraquinone derivatives. In p...