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OJBTM
Online
Journal of Bioinformatics ©
Volume 18(1):19-29, 2017
Homology modeling
docking for histone deacetylase 8.
Ahmad Mohammadi
Moghaddas
Department of Genetics, Osmania University,
Hyderabad
ABSTRACT
Moghaddas AM., Homology modeling docking for
histone deacetylase8 (HDCA 8), Onl J Bioinform., 18(1):19-29, 2017. Histone
Deacetylase (HDAC) enzymes oppose
effects of HATs and reverse lysine acetylation which restores the positive
charge of lysine. This potentially stabilizes the local chromatin architecture
and is consistent with HDACs being predominantly transcriptional repressors. In this work we identified the
inhibitory activity of Tubacin using a 3D structure
for Histone Deacetylase 8 crystal
structure with MVD software. The 3D structure was validated. The active site of
Histone Deacetylase 8 was identified
using CASTp server and active residues were used to
generate an inhibitor. A tubacin molecule designed with
Chemsketch software docked to HDAC8 active residue suggested that it could
inhibit this histone.
Key
words:
HDCA8, Tubacin, Modeling, MVD and Docking studies.