2,3-Dihydroxy-quinoxaline, a small molecule that promotes ATPase catalytic activity of Herpes Simplex Virus thymidine kinase (HSV-TK), was identified by virtual screening. This compound competitively inhibited HSV-TK catalyzed phosphorylation of acyclovir with Ki=250 μM (95% CI: 106-405 μM) and dose-dependently increased the rate of the ATP hydrolysis with KM=112 μM (95% CI: 28-195 μM). The kinetic scheme consistent with this experimental data is proposed.
Keywords: 2,3-dihydroxy-quinoxaline; DHQ; Enzyme kinetic; HSV-TK; Herpes Simplex Virus thymidine kinase; Inhibition; Molecular docking; TLC; Thymidine kinase; thin layer chromatography.
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