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Fig. 2 — Potent and specific MTH1 inhibitors targeting gastric cancer.
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Fig. 2Figure 2
Screening of MTH1 inhibitors in vitro, MD simulations and binding free energy calculation of compound MI-743 and MTH1. a The structures, IC 50 values and ( b ) percentage of MTH1 inhibition rate of the potential inhibitors MI-743, MI-401 and negative compound MI-929. c MGC-803 cells were treated with 50 µM compounds MI-743, MI-401, (S)-crizotinib or MI-929, respectively, collected and heated for 10 min from 43 to 61 °C. The cells were lysed and the protein levels of MTH1, OGG1, MUTYH or MTH2 were determined by western Blot. At least three independent experiments were performed for each group. Data are presented as means ± SD. d Predicted binding mode of compound MI-743 in MTH1 binding pocket (PDB code: 4N1U). Compound MI-743 is shown as green stick. The residues of MTH1 associated with MI-743 are shown in white. Hydrogen bonds are shown in magenta dash lines and the corresponding distances are given in Å. The RMSD value plots of the protein (MTH1) ( e ) and ligand (MI-743) ( f )
▸Metadata
| pmid | paper-18d2a490986a |
| caption | Screening of MTH1 inhibitors in vitro, MD simulations and binding free energy calculation of compound MI-743 and MTH1. a The structures, IC 50 values and ( b ) percentage of MTH1 inhibition rate of |
| image_url | https://www.ebi.ac.uk/europepmc/articles/PMC6547740/bin/41419_2019_1665_Fig2_HTML.jpg |
| paper_title | Potent and specific MTH1 inhibitors targeting gastric cancer. |
| figure_label | Fig. 2 |
| figure_number | 2 |
| _schema_version | 1 |
| source_strategy | pmc_api |
📊 Evidence Profile
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