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

Chih Hua Chao; Kuan Hua Lin; Chiung Yao Huang; Tsong Long Hwang; Chang Feng Dai; Hui Chi Huang; Jyh Horng Sheu

doi:10.3390/md20050297

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

Chih Hua Chao, Kuan Hua Lin, Chiung Yao Huang, Tsong Long Hwang, Chang Feng Dai, Hui Chi Huang, Jyh Horng Sheu^*

^*Corresponding author for this work

School of Traditional Chinese Medicine

Research output: Contribution to journal › Journal Article › peer-review

5 Scopus citations

Abstract

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.

Original language	English
Article number	297
Journal	Marine Drugs
Volume	20
Issue number	5
DOIs	https://doi.org/10.3390/md20050297
State	Published - 05 2022

Bibliographical note

Publisher Copyright:
© 2022 by the authors. Licensee MDPI, Basel, Switzerland.

Keywords

DP4+
J-DP4
Sarcophyton tortuosum
epi-sarcophytonolide
tortuolide A
tortuolide B

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10.3390/md20050297

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title = "Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum",

abstract = "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.",

keywords = "DP4+, J-DP4, Sarcophyton tortuosum, epi-sarcophytonolide, tortuolide A, tortuolide B",

author = "Chao, \{Chih Hua\} and Lin, \{Kuan Hua\} and Huang, \{Chiung Yao\} and Hwang, \{Tsong Long\} and Dai, \{Chang Feng\} and Huang, \{Hui Chi\} and Sheu, \{Jyh Horng\}",

note = "Publisher Copyright: {\textcopyright} 2022 by the authors. Licensee MDPI, Basel, Switzerland.",

year = "2022",

month = may,

doi = "10.3390/md20050297",

language = "英语",

volume = "20",

journal = "Marine Drugs",

issn = "1660-3397",

publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",

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TY - JOUR

T1 - Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum

AU - Chao, Chih Hua

AU - Lin, Kuan Hua

AU - Huang, Chiung Yao

AU - Hwang, Tsong Long

AU - Dai, Chang Feng

AU - Huang, Hui Chi

AU - Sheu, Jyh Horng

PY - 2022/5

Y1 - 2022/5

N2 - 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.

AB - 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.

KW - DP4+

KW - J-DP4

KW - Sarcophyton tortuosum

KW - epi-sarcophytonolide

KW - tortuolide A

KW - tortuolide B

UR - https://www.scopus.com/pages/publications/85129707127

U2 - 10.3390/md20050297

DO - 10.3390/md20050297

M3 - 文章

C2 - 35621948

AN - SCOPUS:85129707127

SN - 1660-3397

VL - 20

JO - Marine Drugs

JF - Marine Drugs

IS - 5

M1 - 297

ER -

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

Abstract

Bibliographical note

Keywords

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