Bioactivity-Guided Separation of Potential D₂ Dopamine Receptor Antagonists from Aurantii Fructus based on Molecular Docking Combined with High-Speed Counter-Current Chromatography.

ABSTRACT: The typical compounds of Aurantii fructus (AF) reported in previous research were screened for their high antagonistic ability on the D₂ dopamine receptor (D₂R) in silico, and then bioactivity-guided separation was undertaken on the potential D₂R antagonists from AF using high-speed counter-current chromatography (HSCCC). Three flavanones, two polymethoxyflavonoids, and three coumarins were effectively isolated from ethanol extracts of Aurantii fructus (AF) by the use of a two-step HSCCC method, and their chemical structures were identified by mass spectrometry, ¹H-NMR, and ¹³C-NMR and compared with published data. Firstly, crude extract of 70% ethanol eluent (150 mg) was isolated by HSCCC using an n-hexane-ethyl acetate-n-butanol-methanol-0.05% acetic acid (1:3:1.

SUBMITTER: He Y 

PROVIDER: S-EPMC6320876 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature