Exploring the Anti-Inflammatory Potential of a Steroidfrom Antarctic Lichen Umbilicaria antarctica(L.)Ach.: In Vitro, In Vivo Zebra fish Assay, and In Silico Studies
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Title
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Exploring the Anti-Inflammatory Potential of a Steroidfrom Antarctic Lichen Umbilicaria antarctica(L.)Ach.: In Vitro, In Vivo Zebra fish Assay, and In Silico Studies
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Other Titles
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남극 지의류 Umbilicaria antarctica (L.) Ach.에서 유래한 스테로이드의 항염증 가능성 탐색: 시험관 내(in vitro), 생체 내(in vivo) 제브라피시 실험 및 컴퓨터 시뮬레이션 연구(in silico)
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Authors
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Jae HeonSim
Sung WooShin
Eun Jin Heo
Na Woo Kim
Lee, Jun Hyuck
Youn, Ui Joung
Tong Ho Kang
Seulah Lee
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Keywords
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Umbilicariaantarctica; ZebrafishAssay; steroid
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Issue Date
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2025-05
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Citation
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Jae HeonSim, et al. 2025. "Exploring the Anti-Inflammatory Potential of a Steroidfrom Antarctic Lichen Umbilicaria antarctica(L.)Ach.: In Vitro, In Vivo Zebra fish Assay, and In Silico Studies". ChemistrySelect, 10(20): 0-0.
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Abstract
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Chemical analysis of the Antarctic lichen Umbilicaria antarctica
(L.) Ach. led to the isolation of four compounds (1?4).
Among these, 9,11-dehydroergosterol peroxide (3) demonstrated
the most substantial anti-inflammatory effects both in vitro
and in vivo using zebrafish models. Molecular docking studies
were conducted to assess the binding affinities of the selected
compounds with important inflammatory mediators iNOS and
IL-10, and molecular dynamics (MD) simulations were performed
on the most potent anti-inflammatory compound. RMSD plot analysis indicated that 3 remained stable throughout a 200 ns
simulation period, particularly with iNOS. RMSF plots also suggested
a stable and well-fitted conformation of 3 within the
binding site of iNOS. The complex stability during the simulation
is attributable to the hydrophobic interactions of 3 with TRP463,
which contributed over 40% to the protein-ligand interactions.
These findings suggest that 9,11-dehydroergosterol peroxide (3)
could be a promising new strategy for treating inflammation.
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URI
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https://repository.kopri.re.kr/handle/201206/16615
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DOI
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https://doi.org/10.1002/slct.202406180
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Type
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Article
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Station
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King Sejong Station
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Indexed
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SCIE
- Appears in Collections
- 2025-2025, 미생물-식물 유전체와 대사체 기반 생리활성물질 개발 및 식물 회복력 시스템 구축 (25-25) / 이준혁 (PN25170)
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