Discovery of Novel IDH1 Inhibitor Through Comparative Structure-Based Virtual Screening

• Main Authors: Yuwei Wang (Author), Shuai Tang (Author), Huanling Lai (Author), Ruyi Jin (Author), Xu Long (Author), Na Li (Author), Yuping Tang (Author), Hui Guo (Author), Xiaojun Yao (Author), Elaine Lai-Han Leung (Author)
• Format: Book
• Published: Frontiers Media S.A., 2020-11-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

IDH1 mutations occur in about 20-30% of gliomas and are a promising target for the treatment of cancer. In the present study, the performance of aIDH1R132H was verified via glide-docking-based virtual screening. On the basis of the two crystal structures (5TQH and 6B0Z) with the best discriminating...