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. 2021 Jan 14;195:57–71. doi: 10.1016/j.ymeth.2021.01.003

Table 4.

Guanine-N7 methyltransferase (ExoN) Hits.

Dock ID Compound name Normal target Glide Energy DockScore LipophilicEvdW HBond Electro ExposPenal RotPenal
A Diosmin Diosmin, a flavone that can be found in the plant Teucrium gnaphalodes. Is an agonist at the human aryl hydrocarbon receptor −68.66 −13.26 −1.66 −6.01 −2 0.11 0.11
B Hidrosmin Capillary stabilizing agent −71.34 −13.24 −2.01 −5.57 −2 0.05 0.11
C N-Desmethyl-4-hydroxy tamoxifen beta-D-glucuronide (E/Z Mixture) N/A −72.69 −13.23 −1.77 −6.22 −2 0.48 0.11
D Octane-1,3,5,7- tetracarboxylic acid Carboxypeptidase A1 −68.77 −13.17 −1.65 −6.08 −2 0.28 0.11
E Bempedoic acid Metabolic activation affords ETC-1002-CoA, the pharmacologically active metabolite. ATP lyase (a.k.a. ATP synthase) plays an important part of cholesterol synthesis −71.39 −13.15 −2.14 −5.48 −2 0.22 0.08
F Bisindolylmaleimide IX PKC Inhibitor, Potential anti-cancer activity −50.6 −7.8 −4.5 −2.7 −0.7 0.0 0.3