【摘 要】
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Main observation and conclusionrnThe investigation of Morinda officinalis led to the isolation of twelve compounds (1-12),including three new iridoid glycosides morindalins A-C (1-3) and nine known compounds (4-12).Their structural identifications were co
【机 构】
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Dalian Key Laboratory of Metabolic Target Characterization and Traditional Chinese Medicine Interven
论文部分内容阅读
Main observation and conclusionrnThe investigation of Morinda officinalis led to the isolation of twelve compounds (1-12),including three new iridoid glycosides morindalins A-C (1-3) and nine known compounds (4-12).Their structural identifications were conducted using HRMS,1D and 2D NMR,and electronic circular dichroism (ECD) spectra as well as quantum chemical computations.Compound 6 displayed the most significantly agonistic activity against farnesoid X receptor (FXR) with an ECs0 value of 7.18 μM,and its agonistic effect was verified through the investigation of FXR downstream target genes including small heterodimer partner 1 (SHP1),bile salt export pump(BSEP),and organic solute transporter subunit alpha and beta (OSTα and OSTβ).The potential interaction of compound 6 with FXR was analyzed by molecular docking and molecular dynamics stimulation,revealing that amino acid residues Leu287,Thr288,and Ser332 played a crucial role in the activation of compound 6 towards FXR.These findings suggested that compound 6 could be re-garded as a potential candidate for the development of FXR agonists.
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