New Cladiellin-Type Diterpenoids from the South China Sea Soft Coral Cladiella krempfi: Structures and Molecular Docking Analysis in EGFRs

南海软珊瑚 Cladiella krempfi 中的新 Cladiellin 型二萜化合物:结构和 EGFR 分子对接分析

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作者:Yang Jin, Li-Gong Yao, Yue-Wei Guo, Xu-Wen Li

Abstract

Two new cladiellin-type diterpenoids (1 and 2) and four known related compounds 3-6, were isolated from the South China Sea soft coral Cladiella krempfi. Compound 2 is the third example of cladiellins of an unusual peroxy group in the C-6 position in C. krempfi. The structures and absolute configurations of the new compounds were established by extensive spectroscopic analysis, X-ray diffraction, and/or chemical correlation. In bioassay, all the compounds were evaluated for cytotoxicity and epidermal growth factor receptor (EGFR) inhibitory activity. A molecular docking experiment was conducted to study the structure-activity relationship of cladiellin-type diterpenoids on EGFR inhibitory activity.

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