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We acknowledge the Merck Frosst Canada medicinal chemists for the gift of the inhibitor compound used in this study.
Furthermore, we performed an analogous experiment using unlabeled PI4KB and a fluorescent PI4KB inhibitor (compound 3 in our recent publication56).
A single digit nanomolar inhibitor (compound 20, IC50 = 8.9 nM) was identified following this approach.
A second inhibitor, compound 12, has an IC50 value of 240 nM against the Yersinia PTPase.
The inhibitor compound had the wider tolerance of calcium ion and bicarbonate radical.
Methyl 3- 2-mercaptophenyll)imino)butanoate (MMPB) was synthesized as inhibitor compound for copper protection.
Orthogonal array design (OAD) was used for achieving the optimal composition of the inhibitor compound.
Docking calculation shows that the Dengue virus inhibitor compound 10 may bind to the ZIKV MTase.
Triple reuptake inhibitor, compound 2q, in particular, showed potent serotonin reuptake inhibition, validating our design approach.
The best inhibitor (compound 16) had a kinact/KI value of 4580 M−1 s−1.
The most potent inhibitor compound 12, inhibits Aslfm with a Ki value of 2.9 μM.
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