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

• Principais autores: Yuwei Wang (Autor), Shuai Tang (Autor), Huanling Lai (Autor), Ruyi Jin (Autor), Xu Long (Autor), Na Li (Autor), Yuping Tang (Autor), Hui Guo (Autor), Xiaojun Yao (Autor), Elaine Lai-Han Leung (Autor)
• Formato: Livro
• Publicado em: Frontiers Media S.A., 2020-11-01T00:00:00Z.
• Assuntos: article
• Acesso em linha: 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...