Identification of mIDH1 R132C/S280F Inhibitors from Natural Products by Integrated Molecular Docking, Pharmacophore Modeling and Molecular Dynamics Simulations

• Main Authors: Weitong Zhang (Author), Hailong Bai (Author), Yifan Wang (Author), Xiaorui Wang (Author), Ruyi Jin (Author), Hui Guo (Author), Huanling Lai (Author), Yuping Tang (Author), Yuwei Wang (Author)
• Format: Book
• Published: MDPI AG, 2024-03-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Mutant isocitrate dehydrogenase 1 (mIDH1) is a common driving factor in acute myeloid leukemia (AML), with the R132 mutation accounting for a high proportion. The U.S. Food and Drug Administration (FDA) approved Ivosidenib, a molecular entity that targets IDH1 with R132 mutations, as a promising the...