{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Bu Q"],"funding":["SKLDR/SIMM Project","National Natural Science Foundation of China"],"pagination":["566"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9503382"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["20(9)"],"pubmed_abstract":["Three unusual diterpenes with rare sarsolenane and capnosane skeletons, namely mililatensols A-C (<b>1</b>-<b>3</b>), were isolated from the South China Sea soft coral <i>Sarcophyton mililatensis</i>, leading to the first record of sarsolenane and capnosane diterpenes from the title animal. The structures of compounds <b>1</b>-<b>3</b> were established by extensive spectroscopic analysis and comparison with the literature data. Moreover, the absolute configuration of <b>2</b> was determined by TDDFT ECD calculations. In an in vitro bioassay, none of the isolated compounds showed obvious anti-inflammatory activity on LPS-induced TNF-<i>α</i> release in RAW264.7 macrophages. In the preliminary virtual screening of inhibitory potential against SARS-CoV-2 by molecular docking, the results showed these three diterpenes were potential SARS-CoV-2 M<sup>pro</sup> inhibitors."],"journal":["Marine drugs"],"pubmed_title":["Mililatensols A-C, New Records of Sarsolenane and Capnosane Diterpenes from Soft Coral <i>Sarcophyton mililatensis</i>."],"pmcid":["PMC9503382"],"funding_grant_id":["SIMM2103ZZ-06","41876194","81991521"],"pubmed_authors":["Yan XY","Guo YW","Liang LF","Yang M","Ge ZY","Li SW","Bu Q","Zhang L","Yao LG"],"additional_accession":[]},"is_claimable":false,"name":"Mililatensols A-C, New Records of Sarsolenane and Capnosane Diterpenes from Soft Coral <i>Sarcophyton mililatensis</i>.","description":"Three unusual diterpenes with rare sarsolenane and capnosane skeletons, namely mililatensols A-C (<b>1</b>-<b>3</b>), were isolated from the South China Sea soft coral <i>Sarcophyton mililatensis</i>, leading to the first record of sarsolenane and capnosane diterpenes from the title animal. The structures of compounds <b>1</b>-<b>3</b> were established by extensive spectroscopic analysis and comparison with the literature data. Moreover, the absolute configuration of <b>2</b> was determined by TDDFT ECD calculations. In an in vitro bioassay, none of the isolated compounds showed obvious anti-inflammatory activity on LPS-induced TNF-<i>α</i> release in RAW264.7 macrophages. In the preliminary virtual screening of inhibitory potential against SARS-CoV-2 by molecular docking, the results showed these three diterpenes were potential SARS-CoV-2 M<sup>pro</sup> inhibitors.","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Sep","modification":"2024-11-12T17:40:45.631Z","creation":"2024-11-12T17:40:45.631Z"},"accession":"S-EPMC9503382","cross_references":{"pubmed":["36135755"],"doi":["10.3390/md20090566"]}}