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Updated: Aug 23, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
Published on: September 17, 2017
Total assignment and structure in solution of tetrandrine by NMR spectroscopy and molecular modelling
André Thevand1, Ioana Stanculescu, Cristina Mandravel
1UMR 6633, Spectrométries et Dynamique Moléculaire, Université de Provence, Campus de Saint-Jérôme, Case 252, F13397 Marseille 20, France.
Abstract:
High-resolution 1- and 2D NMR spectra of tetrandrine and molecular modelling were employed to characterise its structure in solution. Complete and unambiguous assignment of all proton and carbon resonance signals is reported. Scalar couplings were determined from dihedral angles with the Karplus equation. Inter-proton distances were evaluated from NOE correlation peaks. Comparison of simulated and X-ray conformations of tetrandrine reveals only small differences.
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