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DOE OSTI · 1899345

Potential Foldamers Based on an ortho- Terphenyl Amino Acid

Kleman, Adam F.·Dufek, Deseree L.·Fobe, Theodore L.·McCaslin, Darrell R.·Cary, Brian P.·Shirts, Michael R.·Gellman, Samuel H.
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Abstract

We describe the synthesis and characterization of a new class of oligomers built from a terphenyl-based amino acid. Here, these oligomeric amides are of interest because the adoption of specific conformations could potentially be driven by the coordinated formation of inter-residue hydrogen bonds and aromatic interactions. Although high-resolution structural data have proven inaccessible, circular dichroism and nuclear magnetic resonance studies suggest that the new oligomers fold concomitantly with discrete self-association in chloroform. Molecular simulations find no sign of folding as a monomer, and in fact suggest that hydrogen bond patterning is anti-cooperative, inhibiting longer helices.

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRYamidesaromatic compoundsconformationdiffusionfoldamersfoldingmolecular modelingoligomers

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Kleman, Adam F., Dufek, Deseree L., Fobe, Theodore L., McCaslin, Darrell R., Cary, Brian P., Shirts, Michael R., Gellman, Samuel H.. 2021-06-02. Potential Foldamers Based on an ortho- Terphenyl Amino Acid. https://doi.org/10.1021/acs.orglett.1c01592

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