Toward the supramolecular sequestration of the atherogenic metabolite imidazole propionate by a guanidinium-functionalized pillar[5]arene
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Imidazole propionate (ImP) is an atherogenic metabolite involved in vascular inflammation. Molecular dynamics simulations and DFT calculations show the spontaneous formation of a highly stable ImP@P[5]G host-guest complex driven predominantly by electrostatic ... ...
