Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum

A persistent study on soft coral Sarcophyton tortuosum resulted in the characterization of two new cembranolides, tortuolides A and B (1 and 2), and a new related diterpene, epi-sarcophytonolide Q. Their structures were determined not only by extensive spectroscopic analysis but also by DFT calculat...

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Autores principales: Chao, Chih-Hua, Lin, Kuan-Hua, Huang, Chiung-Yao, Hwang, Tsong-Long, Dai, Chang-Feng, Huang, Hui-Chi, Sheu, Jyh-Horng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9147035/
https://www.ncbi.nlm.nih.gov/pubmed/35621948
http://dx.doi.org/10.3390/md20050297
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author Chao, Chih-Hua
Lin, Kuan-Hua
Huang, Chiung-Yao
Hwang, Tsong-Long
Dai, Chang-Feng
Huang, Hui-Chi
Sheu, Jyh-Horng
author_facet Chao, Chih-Hua
Lin, Kuan-Hua
Huang, Chiung-Yao
Hwang, Tsong-Long
Dai, Chang-Feng
Huang, Hui-Chi
Sheu, Jyh-Horng
author_sort Chao, Chih-Hua
collection PubMed
description A persistent study on soft coral Sarcophyton tortuosum resulted in the characterization of two new cembranolides, tortuolides A and B (1 and 2), and a new related diterpene, epi-sarcophytonolide Q. Their structures were determined not only by extensive spectroscopic analysis but also by DFT calculations of ECD and NMR data, the latter of which was combined with statistical analysis methods, e.g., DP4+ and J-DP4 approaches. Anti-inflammatory and cytotoxicity activities were evaluated in this study.
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spelling pubmed-91470352022-05-29 Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum Chao, Chih-Hua Lin, Kuan-Hua Huang, Chiung-Yao Hwang, Tsong-Long Dai, Chang-Feng Huang, Hui-Chi Sheu, Jyh-Horng Mar Drugs Article A persistent study on soft coral Sarcophyton tortuosum resulted in the characterization of two new cembranolides, tortuolides A and B (1 and 2), and a new related diterpene, epi-sarcophytonolide Q. Their structures were determined not only by extensive spectroscopic analysis but also by DFT calculations of ECD and NMR data, the latter of which was combined with statistical analysis methods, e.g., DP4+ and J-DP4 approaches. Anti-inflammatory and cytotoxicity activities were evaluated in this study. MDPI 2022-04-27 /pmc/articles/PMC9147035/ /pubmed/35621948 http://dx.doi.org/10.3390/md20050297 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Chao, Chih-Hua
Lin, Kuan-Hua
Huang, Chiung-Yao
Hwang, Tsong-Long
Dai, Chang-Feng
Huang, Hui-Chi
Sheu, Jyh-Horng
Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum
title Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum
title_full Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum
title_fullStr Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum
title_full_unstemmed Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum
title_short Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum
title_sort computationally assisted structural elucidation of cembranoids from the soft coral sarcophyton tortuosum
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9147035/
https://www.ncbi.nlm.nih.gov/pubmed/35621948
http://dx.doi.org/10.3390/md20050297
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