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. 2018 Nov 28;5(11):181321. doi: 10.1098/rsos.181321

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© 2018 The Authors.

Published by the Royal Society under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/4.0/, which permits unrestricted use, provided the original author and source are credited.

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Figure 2. — L1000FWD and molecular docking analyses of predicted HDAC inhibitors. (a) Upper part: gene signatures of drugs with known MOA were coloured and clustered. The red box indicated the cluster of HDAC inhibitors. Lower part: the gene signatures of drugs were queried online and visualized with the yellow circles. (b) The chemical structures of BRD-K75081836, vorinostat/SAHA, trichostatin A and scriptaid. (c) The upper part: the best docking model of BRD-K75081836 or SAHA to HDAC2. The lower part: the interaction residues of HDAC2 to BRD-K75081836 or SAHA.