Composition decipherment of Ficus pumila var. awkeotsang and its potential on COVID-19 symptom amelioration and in silico prediction of SARS-CoV-2 interference

Hao Chun Hu, Szu Yin Yu, Xiao Shan Hung, Chun Han Su, Yu Liang Yang, Chien Kei Wei, Yuan Bin Cheng, Yang Chang Wu, Chia Hung Yen, Tsong Long Hwang, Shu Li Chen, István Szatmári, Attila Hunyadi, Yi Hong Tsai*, Fang Rong Chang*

*Corresponding author for this work

Research output: Contribution to journalJournal Article peer-review

3 Scopus citations

Abstract

The jelly from achenes of Ficus pumila var. awkeotsang (FPAA) is a famous beverage ingredient in Taiwan. In this work, ficumarin (1), a new compound was obtained from its twigs (FPAT) and elucidated with comprehensive spectroscopic data. The biosynthetic origin was proposed from the p-coumaroyl-CoA pathway. Alloxanthoxyletin, betulinic acid, and catechin were identified as the major and active constituents responsible for relieving neutrophilic inflammation by FPAT. Among them, the most potent alloxanthoxyletin was found to interact with PRO350 and GLU377 of human INOSOX. Further, Nrf2 activating capacity of the FPAT fraction and its coumarins was confirmed. With the analysis of LC-MS/MS data and feature-based molecular networking, coumarins were found as the dominant and responsible components. Notably, alloxanthoxyletin increased Nrf2 expression by up to 816.8 ± 58% due to the interacting with the VAL561, THR560 and VAL420 residues of 5FNQ protein. COVID-19 Docking Server simulation indicated that pyranocoumarins would promisingly interfere with the life cycle of SARS-CoV-2. FPAT was proven to exert.

Original languageEnglish
Article number9
Pages (from-to)440-453
Number of pages14
JournalJournal of Food and Drug Analysis
Volume30
Issue number3
DOIs
StatePublished - 2022

Bibliographical note

Publisher Copyright:
© 2022 Taiwan Food and Drug Administration.

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