6533b82dfe1ef96bd1290a8b
RESEARCH PRODUCT
Revised structure of trans-resveratrol: Implications for its proposed antioxidant mechanism
Bartosz ZarychtaChristopher G. GianopoulosA. Alan Pinkertonsubject
Models MolecularDiffractionStereochemistryClinical BiochemistryStructure (category theory)Pharmaceutical ScienceCrystal structureCrystallography X-Ray010402 general chemistry01 natural sciencesBiochemistryAntioxidantsStructure-Activity RelationshipStilbenesDrug DiscoveryMoleculeMolecular BiologyMolecular StructureTrans-resveratrol010405 organic chemistryHydrogen bondChemistryOrganic ChemistryHydrogen Bondingdisorder0104 chemical sciencesCrystallographyResveratrolMechanism (philosophy)Molecular MedicineX-ray structuresuperstructureSuperstructure (condensed matter)description
The crystal structure of trans-resveratrol has been redetermined by X-ray diffraction. The newly refined structure demonstrates that the previously reported, dynamically disordered hydrogen-bonding network is rather the superposition of two crystallographically independent molecules of trans-resveratrol. This latter arrangement possesses a well-defined hydrogen-bonding network in a unit cell of double the previously reported volume. While not meant as a criticism of the proposed antioxidant mechanism itself, the present studies clearly show that the X-ray diffraction data should no longer be used for its additional support.
year | journal | country | edition | language |
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2015-12-07 | Bioorganic & Medicinal Chemistry Letters |