Journal
ACS MEDICINAL CHEMISTRY LETTERS
Volume 11, Issue 10, Pages 1928-1934Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsmedchemlett.9b00625
Keywords
BET inhibitors; acute myeloid leukemia (AML); sulfoximine; sulfondiimide; stereochemistry
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Funding
- RWTH Aachen University [OPSF496]
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Structural analogues of PFI-1 varying at the sulfur core were prepared, and their activities as BET inhibitors in myeloid cell lines and primary cells from patients with acute myeloid leukemia were studied. Docking calculations followed by molecular dynamics simulations revealed the binding mode of the newly prepared inhibitors, suggesting explanations for the observed high enantiospecificity of the inhibitory activity.
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