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Identification of mIDH1 R132C/S280F Inhibitors from Natural Products by Integrated Molecular Docking, Pharmacophore Modeling and Molecular Dynamics Simulations
- Weitong Zhang,
- Hailong Bai,
- Yifan Wang,
- Xiaorui Wang,
- Ruyi Jin,
- Hui Guo,
- Huanling Lai,
- Yuping Tang and
- Yuwei Wang
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 ta...