Polyoxygenated Terpenoids and Polyketides from the Roots of Flueggea virosa and Their Inhibitory Effect against SARS-CoV-2-Induced Inflammation.
Ju-Chien ChengYi-Ju ChenChi-Wen ChuangYa-Hsuan ChaoHui-Chi HuangChia-Chi LinChih-Hua ChaoPublished in: Molecules (Basel, Switzerland) (2022)
Six new polyoxygenated terpenoids, podovirosanes A-F ( 1 - 6 ), and two known polyketides ( 7 and 8 ) were isolated from the roots of F. virosa . Their structures, along with absolute configurations, were deduced using spectroscopic analysis as well as computational calculations, including TDDFT calculation of ECD spectra and GIAO NMR calculations combined with DP4+ probability analysis. Compounds 2 , 3 , 5 , and 8 were found to reduce the phosphorylation levels of NF- κ B p65 in SARS-CoV-2 pseudovirus-stimulated PMA-differentiated THP-1 cells.
Keyphrases
- sars cov
- density functional theory
- oxidative stress
- high resolution
- molecular dynamics
- signaling pathway
- molecular dynamics simulations
- induced apoptosis
- magnetic resonance
- respiratory syndrome coronavirus
- monte carlo
- molecular docking
- lps induced
- cell cycle arrest
- high glucose
- mass spectrometry
- cell death
- pi k akt
- endoplasmic reticulum stress
- solid state
- cell wall