Figure 1 | Scientific Reports

Figure 1

From: Discovery of a Low Toxicity O-GlcNAc Transferase (OGT) Inhibitor by Structure-based Virtual Screening of Natural Products

Figure 1

Structural-based virtual screening protocol and structure of L01. (a) Flowchart for the identification of L01. (b) Effect of candidates on OGT activities. All the compounds were used at 100 μM. OSMI-1 was used as a positive control. Enzyme activity was tested by using HPLC-based activity assay and normalized to the DMSO control (data represent the mean ± s.e.m., n = 3). (c) The human OGT ensemble structures and the binding pose of L01 with the best score. The residues of binding pocket are shown by surface. (d) The chemical structure of L01.

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