Antioxidant aromatic compounds from Amomum villosum and target prediction of active ingredients

Junming Liang; Yang Xu; Jinxia Chen; Zhiruo Zhang; Hui Wang; Kexin Liu; Dejuan Sun; Hua Li; Lixia Chen

doi:10.1016/j.bioorg.2024.107375

Antioxidant aromatic compounds from Amomum villosum and target prediction of active ingredients

Bioorg Chem. 2024 Apr 16:147:107375. doi: 10.1016/j.bioorg.2024.107375. Online ahead of print.

Authors

Junming Liang¹, Yang Xu¹, Jinxia Chen¹, Zhiruo Zhang¹, Hui Wang¹, Kexin Liu¹, Dejuan Sun², Hua Li³, Lixia Chen⁴

Affiliations

¹ Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China.
² Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China. Electronic address: sywysdj@163.com.
³ Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China; Institute of Structural Pharmacology & TCM Chemical Biology, Fujian Key Laboratory of Chinese Materia Medica, College of Pharmacy, Fujian University of Traditional Chinese Medicine, Fuzhou 350122, China. Electronic address: lihua@fjtcm.edu.cn.
⁴ Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China. Electronic address: syzyclx@163.com.

PMID: 38636437
DOI: 10.1016/j.bioorg.2024.107375

Abstract

The dried fruit of Amomum villosum is an important spice and medicinal plant that has received great attention in recent years due to its high content of bioactive components and its potential for food additives and drug development. However, the stems and leaves of A. villosum are usually disposed of as waste. Based on the study of the fruits of A. villosum, we also systematically studied its stems and leaves. Fourteen aromatic compounds (1-14) were isolated and identified from A. villosum, including five new compounds (1-5) and nine known compounds (6-14). Among them, compounds 2-5, 8-10, 12-13 were obtained from the fruits of A. villosum, and compounds 1, 6-7,11, 14 were isolated from the stems and leaves of A. villosum. Based on chemical evidence and spectral data analysis (UV, ECD, Optical rotation data, 1D and 2D-NMR, and HR-ESI-MS), the structures of new compounds were elucidated. Furthermore, all compounds were tested for their effects on the survival rate of BV-2 cells in the presence of hydrogen peroxide. Among them, compound 5 showed antioxidant effects. Through network pharmacology screening and the cell thermal shift assay (CETSA), the Phosphoglycerate Mutase 5 (PGAM5) protein was identified as the antioxidant target of compound 5. Molecular docking results showed that compound 5 maintains binding to PGAM5 by forming hydrogen bond interactions with Lys93 and Agr214. In summary, A. villosum had potential medicinal and food values due to the diverse bioactive components.

Keywords: Amomum villosum; Antioxidant; Aromatic compounds; BV-2; PGAM5.