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Table 2 Qualitative molecular docking of MAKV-8 against selected HDACs

From: Novel HDAC inhibitor MAKV-8 and imatinib synergistically kill chronic myeloid leukemia cells via inhibition of BCR-ABL/MYC-signaling: effect on imatinib resistance and stem cells

HDAC (PDB code)

MAKV-8

SAHA

HDAC1 (4BKX)

− 6.7

− 5.4

HDAC2 (4LY1)

− 7.2

− 6.7

HDAC3 (4A69)

− 6.9

− 6.5

HDAC4 (2VQM)

− 7.7

− 5.6

HDAC6 (5EDU)

− 7.2

− 6.1

HDAC7 (3C10)

− 7.1

− 6.0

HDAC8 (3EW8)

− 7.0

− 6.9

Average

− 7.1

− 6.2

  1. Binding affinity energy values (kcal/mol) for the indicated Protein Data Bank (PDB) codes were calculated using AutoDock Vina program. SAHA was used as a reference HDACi
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Clinical Epigenetics

ISSN: 1868-7083

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