Thiacalix[4]arene as molecular platform for design of alkaline phosphatase inhibitors (original) (raw)

Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2009

Abstract

ABSTRACT AbstractEffect of thiacalix[4]arene platform on inhibition of alkaline phosphatase by macrocyclic phosphonate is presented in this article. Using tetrakis(dihydroxyphosphorylmethyl) derivatives we have found that phosphonate inhibitor on thiacalix[4]arene platform has displayed stronger inhibition properties towards alkaline phosphatases from bovine intestine mucosa, shrimp and human placenta than its structural calix[4]arene analogue. For elucidation of the molecular mechanism of the inhibition the tested macrocyclic compounds were docked computationally to the active site of alkaline phosphatase from shrimp. The role of thiacalix[4]arene platform in formation of the enzyme-inhibitor complex is discussed. Graphical AbstractThiacalix[4]arene as molecular platform for design of alkaline phosphatase inhibitors KeywordsCalix[4]arene-Thiacalix[4]arene-Phosphonic acid-Alkaline phosphatase-Inhibition-Molecular docking

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