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ACS Med Chem Lett
; 11(10): 1928-1934, 2020 Oct 08.
Artículo
en Inglés
| MEDLINE
| ID: mdl-33062175
RESUMEN
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.