The phytochemical investigation of Cortex Mori Radicis led to the isolation and identification of a new prenylated benzofuranone () and four ring-opening derivatives (-) named albaphenol A-E, as well as nigranol A (), together with ten 2-arylbenzofuran derivatives (-). The characterization of the structures of the new compounds and the structural revision of nigranol A () were conducted using the comprehensive analysis of spectroscopic data (1D/2D NMR, HRESIMS, CD, and XRD). Compounds - were tested for their inhibitory effects on acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). Compounds and showed weak BChE-inhibitory activity (IC 45.5 and 61.0 μM); six 2-arylbenzofuran derivatives showed more-potent BChE-inhibitory activity (IC 2.5-32.8 μM) than the positive control galantamine (IC 35.3 μM), while being inactive or weakly inhibitory toward AChE. Cathafuran C () exhibited the most potent and selective inhibitory activity against BChE in a competitive manner, with a Ki value of 1.7 μM. The structure-activity relationships of the benzofuran-type stilbenes were discussed. Furthermore, molecular docking and dynamic simulations were performed to clarify the interactions of the inhibitor-enzyme complex.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10820097 | PMC |
http://dx.doi.org/10.3390/molecules29020315 | DOI Listing |
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