A rare sesquiterpenoid-alkaloid hydrid with selective BuChE tory activity from Valeriana officinalis var. latifolia Miqinhibi

Valerianofal A (2), a rare sesquiterpenoid-alkaloid hydrid, as well as two biosynthetic related compounds (1 and 3) was isolated from the roots of Valeriana officinalis var. latifolia Miq. Compound 2 represented the first germacrane-type sesquiterpenoid and tecostidine hydrid. Their structures as well as absolute configurations were elucidated by spectroscopic analysis, an alkaline hydrolysis method, and X-ray diffraction. The structure of volvalerenic acid A was revised by single-crystal X-ray diffraction. Compounds 2 and 3 displayed selective BuChE inhibitory activities with IC50 values ranging from 0.4 mu g/ml to 2.8 mu g/ml. The possible recognition mechanism between compound 2 and BuChE was predicted by molecular docking analysis. (C) 2022 Elsevier Ltd. All rights reserved.

Automated summary

In this study, a rare sesquiterpenoid-alkaloid hydrid and two biosynthetic related compounds were isolated from the roots of Valeriana officinalis var. latifolia Miq. These compounds exhibited selective inhibitory activities against BuChE and molecular docking analysis provided insights into their recognition mechanism.