Title : In silico discovery of a compound with nanomolar affinity to antithrombin causing partial activation and increased heparin affinity.

Pub. Date : 2012 Jul 26

PMID : 22742452






4 Functional Relationships(s)
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1 We screened a large database in silico to find alternative molecules and predicted d-myo-inositol 3,4,5,6-tetrakisphosphate (TMI) to strongly interact with antithrombin. 4-tolyl isocyanate serpin family C member 1 Homo sapiens
2 Functional studies, fluorescence analysis, and citrullination experiments revealed that TMI induced a partial activation of antithrombin that facilitated the interaction with heparin and low affinity heparins. 4-tolyl isocyanate serpin family C member 1 Homo sapiens
3 TMI improved antithrombin inhibitory function of plasma from homozygous patients with antithrombin deficiency with a heparin binding defect and also in a model with endothelial cells. 4-tolyl isocyanate serpin family C member 1 Homo sapiens
4 TMI improved antithrombin inhibitory function of plasma from homozygous patients with antithrombin deficiency with a heparin binding defect and also in a model with endothelial cells. 4-tolyl isocyanate serpin family C member 1 Homo sapiens