Four New Diterpenoids from the South China Sea Soft Coral <i>Sinularia nanolobata</i> and DFT-Based Structure Elucidation
Three new cembranoids (<b>1</b>–<b>3</b>) and a new casbanoid (<b>4</b>), along with three known analogues (<b>5</b>–<b>7</b>), have been isolated from the soft coral <i>Sinularia nanolobata</i> collected off Ximao Island. The s...
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| Format: | Article |
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MDPI AG
2023-09-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/28/19/6892 |
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| author | Dan-Dan Yu Lin-Mao Ke Jiao Liu Song-Wei Li Ming-Zhi Su Li-Gong Yao Hui Luo Yue-Wei Guo |
| author_facet | Dan-Dan Yu Lin-Mao Ke Jiao Liu Song-Wei Li Ming-Zhi Su Li-Gong Yao Hui Luo Yue-Wei Guo |
| author_sort | Dan-Dan Yu |
| collection | DOAJ |
| description | Three new cembranoids (<b>1</b>–<b>3</b>) and a new casbanoid (<b>4</b>), along with three known analogues (<b>5</b>–<b>7</b>), have been isolated from the soft coral <i>Sinularia nanolobata</i> collected off Ximao Island. The structures, including the absolute configurations of new compounds, were established using extensive spectroscopic data analysis, time-dependent density functional theory/electronic circular dichroism (TDDFT-ECD) calculations, and the comparison with spectroscopic data of known compounds. In the in vitro bioassay, compounds <b>1</b> and <b>5</b> exhibited moderate cytotoxic activities against human erythroleukemia (HEL) cell lines, with IC<sub>50</sub> values of 37.1 and 42.4 μM, respectively. |
| first_indexed | 2024-03-10T21:39:49Z |
| format | Article |
| id | doaj.art-71273cdcbc9b459589f3913e7d98d8a2 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T21:39:49Z |
| publishDate | 2023-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-71273cdcbc9b459589f3913e7d98d8a22023-11-19T14:46:59ZengMDPI AGMolecules1420-30492023-09-012819689210.3390/molecules28196892Four New Diterpenoids from the South China Sea Soft Coral <i>Sinularia nanolobata</i> and DFT-Based Structure ElucidationDan-Dan Yu0Lin-Mao Ke1Jiao Liu2Song-Wei Li3Ming-Zhi Su4Li-Gong Yao5Hui Luo6Yue-Wei Guo7College of Pharmacy, Guangdong Medical University, Zhanjiang 524023, ChinaCollege of Pharmacy, Guangdong Medical University, Zhanjiang 524023, ChinaState Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, ChinaSchool of Medicine, Shanghai University, Shanghai 200444, ChinaShandong Laboratory of Yantai Drug Discovery, Bohai Rim Advanced Research Institute for Drug Discovery, Yantai 264117, ChinaState Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, ChinaCollege of Pharmacy, Guangdong Medical University, Zhanjiang 524023, ChinaState Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, ChinaThree new cembranoids (<b>1</b>–<b>3</b>) and a new casbanoid (<b>4</b>), along with three known analogues (<b>5</b>–<b>7</b>), have been isolated from the soft coral <i>Sinularia nanolobata</i> collected off Ximao Island. The structures, including the absolute configurations of new compounds, were established using extensive spectroscopic data analysis, time-dependent density functional theory/electronic circular dichroism (TDDFT-ECD) calculations, and the comparison with spectroscopic data of known compounds. In the in vitro bioassay, compounds <b>1</b> and <b>5</b> exhibited moderate cytotoxic activities against human erythroleukemia (HEL) cell lines, with IC<sub>50</sub> values of 37.1 and 42.4 μM, respectively.https://www.mdpi.com/1420-3049/28/19/6892marine natural product<i>Sinularia nanolobata</i>structure elucidationcytotoxicity |
| spellingShingle | Dan-Dan Yu Lin-Mao Ke Jiao Liu Song-Wei Li Ming-Zhi Su Li-Gong Yao Hui Luo Yue-Wei Guo Four New Diterpenoids from the South China Sea Soft Coral <i>Sinularia nanolobata</i> and DFT-Based Structure Elucidation Molecules marine natural product <i>Sinularia nanolobata</i> structure elucidation cytotoxicity |
| title | Four New Diterpenoids from the South China Sea Soft Coral <i>Sinularia nanolobata</i> and DFT-Based Structure Elucidation |
| title_full | Four New Diterpenoids from the South China Sea Soft Coral <i>Sinularia nanolobata</i> and DFT-Based Structure Elucidation |
| title_fullStr | Four New Diterpenoids from the South China Sea Soft Coral <i>Sinularia nanolobata</i> and DFT-Based Structure Elucidation |
| title_full_unstemmed | Four New Diterpenoids from the South China Sea Soft Coral <i>Sinularia nanolobata</i> and DFT-Based Structure Elucidation |
| title_short | Four New Diterpenoids from the South China Sea Soft Coral <i>Sinularia nanolobata</i> and DFT-Based Structure Elucidation |
| title_sort | four new diterpenoids from the south china sea soft coral i sinularia nanolobata i and dft based structure elucidation |
| topic | marine natural product <i>Sinularia nanolobata</i> structure elucidation cytotoxicity |
| url | https://www.mdpi.com/1420-3049/28/19/6892 |
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