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. Author manuscript; available in PMC: 2019 Dec 1.
Published in final edited form as: Gastroenterology. 2018 Aug 23;155(6):1985–1998.e5. doi: 10.1053/j.gastro.2018.08.028

Figure 1: Molecular models and binding studies of HDAC2/ GSK3B with metavert.

Figure 1:

(A) Structure of metavert. (B) Molecular models of metavert and Saha binding to HDAC2. (B-a) Binding of Saha in the crystal structure of HDAC2. Zinc (Zn): gray sphere. (B-b) Binding mode of Saha using docking procedure reproduces the binding mode observed in the crystal structure. (B-c) Binding mode of metavert in HDAC2. (B-d) Superposition of Saha and metavert binding to HDAC2. (C, D) Binding analysis using surface plasmon resonance (SPR). Metavert was analyzed at serial doubling concentrations maximized at 100 μM. (C) Highest concentration in green and lowest in brown for HDAC2 binding, and (D) in Blue and green, respectively, for GSK3B binding.