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Three unusual diterpenes with rare sarsolenane and capnosane skeletons, namely mililatensols A–C (1–3), were isolated from the South China Sea soft coral Sarcophyton mililatensis, leading to the first record of sarsolenane and capnosane diterpenes from the title animal. The structures of compounds 1–3 were established by extensive spectroscopic analysis and comparison with the literature data. Moreover, the absolute configuration of 2 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-α 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 Mpro inhibitors. [ABSTRACT FROM AUTHOR]

Three unusual diterpenes with rare sarsolenane and capnosane skeletons, namely mililatensols A–C (1–3), were isolated from the South China Sea soft coral Sarcophyton mililatensis, leading to the first record of sarsolenane and capnosane diterpenes from the title animal. The structures of compounds 1–3 were established by extensive spectroscopic analysis and comparison with the literature data. Moreover, the absolute configuration of 2 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-α 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 Mpro inhibitors.

A novel sarsolenane diterpene, named secodihydrosarsolenone ( 1), as a minor component was obtained from the South China Sea soft coral Sarcophyton trocheliophorum Marenzeller. Its structure was elucidated by detailed spectroscopic analysis. Compound 1 exhibited moderate inhibitory activity ( IC50=13.7 µmol•L−1) against protein tyrosine phosphatase 1B ( PTP1B), a key target for the treatment of type 2 diabetes, representing the first report of PTP1B inhibitory activity for sarsolenane diterpenes. This discovery promotes computational prediction of binding mode between the enzyme and the metabolite, suggesting a crucial role of the residues Tyr46, Ser216 and Arg221 in the binding action. [ABSTRACT FROM AUTHOR]

Chemical investigation of the South China Sea soft coral Sarcophyton solidum has led to the isolation of one new ( 1 ) and seven known ( 2 – 8 ) diterpenoids, including three sarsolenanes ( 1 – 3 ), two capnosanes ( 4 and 5 ), and three cembranes ( 6 – 8 ). Sarsolilide B ( 4 ) was firstly confirmed by single-crystal X-ray diffraction. Compounds 1 , 3 , 4 , and 6 – 8 were isolated from S . solidum for the first time, and 1 , 2 , and 4 – 7 were considered as the chemotaxonomic markers for the species S . solidum . [ABSTRACT FROM AUTHOR]