Using mass spectrometry (MS)-guided isolation methods, a new thiodiketopiperazine derivative (1) and exserohilone (2) were isolated from an EtOAc-extract of Setosphaeria rostrata culture medium. The chemical structure of the new compound was elucidated by MS and NMR spectroscopy, and the absolute configurations were established by the quantum mechanical calculations of electronic circular dichroism. All isolated compounds were examined for their effects on reactive oxygen species (ROS) production, matrix metalloproteinase 1 (MMP-1) secretion, and procollagen type I α1 secretion in tumor necrosis factor (TNF)-α-induced human dermal fibroblasts. Compound 1 and exserohilone (2) exhibited the inhibition of TNF-α-induced ROS generation and MMP-1 secretion. Additionally, compound 1 and exserohilone (2) increased the procollagen type I α1 secretion. Compound 1 docked computationally into the active site of MMP-1 (−6.0 kcal/mol).

使用质谱 (MS) 引导的分离方法，从Setosphaeria rostrata培养基的 EtOAc 提取物中分离出一种新的硫代二酮哌嗪衍生物 ( 1 ) 和 exserohilone ( 2 )。通过MS和NMR光谱阐明了新化合物的化学结构，并通过电子圆二色性的量子力学计算建立了绝对构型。检查所有分离的化合物对肿瘤坏死因子 (TNF)-α 诱导的人真皮成纤维细胞中活性氧 (ROS) 产生、基质金属蛋白酶 1 (MMP-1) 分泌和 I 型前胶原 α1 分泌的影响。化合物1和 exserohilone ( 2 ) 表现出对 TNF-α 诱导的 ROS 生成和 MMP-1 分泌的抑制作用。此外，化合物1和 exserohilone ( 2 ) 增加了 I 型前胶原 α1 的分泌。化合物1通过计算对接至 MMP-1 (-6.0 kcal/mol) 的活性位点。