Isolation, Bioactivity, and Molecular Docking of a Rare Gastrodin Isocitrate and Diverse Parishin Derivatives from Blume.

ACS Omega

State Key Laboratory of Quality Research in Chinese Medicine, Macau Institute for Applied Research in Medicine and Health, Macau University of Science and Technology, Taipa 999078 SAR, China.

Published: March 2024

AI Article Synopsis

  • Blume is recognized for its medicinal properties, particularly in treating neurological disorders like Alzheimer's disease (AD).
  • Seven novel gastrodin derivatives were identified, including one unique compound, with their structures confirmed through advanced analytical techniques like NMR and mass spectrometry.
  • Two of the identified compounds displayed neuroprotective effects and showed promising interactions with key targets related to Alzheimer's disease.

Article Abstract

Blume () is a well-known medicine food homology plant widely used in treating neurological disorders such as Alzheimer's disease (AD). Here, undiscovered gastrodin derivatives were systematically studied. Seven novel gastrodin derivatives (-), including a unique gastrodin isocitrate () and six differently substituted parishin derivatives (-), were isolated. Structural identification was mainly based on 1D and 2D NMR data, high-resolution ESI-MS data, and HPLC analysis. Notably, the stereochemistry of was further elucidated by ECD calculations. Compounds and showed neuroprotective effects on the HO-induced PC12 cell injury model. Molecular docking analysis exhibited that and had good affinities with three popular AD-related targets. These findings not only enriched the chemical diversity but also revealed potential active components in .

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10976414PMC
http://dx.doi.org/10.1021/acsomega.4c00436DOI Listing

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