The Graduate School, University of Santo Tomas, España Blvd., Manila 1015, Philippines.
Laboratory for Organic Reactivity, Discovery and Synthesis (LORDS), Research Center for the Natural and Applied Sciences, University of Santo Tomas, España Blvd., Manila 1015, Philippines.
Int J Mol Sci. 2021 Nov 17;22(22):12379. doi: 10.3390/ijms222212379.
Axenic fermentation on solid rice of the saprobic fungus afforded two new highly oxidized naphthalenoid polyketide derivatives, sparticatechol A () and sparticolin H () along with sparticolin A (). The structures of and were elucidated on the basis of their NMR and HR-ESIMS spectroscopic data. Assignment of absolute configurations was performed using electronic circular dichroism (ECD) experiments and Time-Dependent Density Functional Theory (TDDFT) calculations. Compounds were evaluated for COX inhibitory, antiproliferative, cytotoxic and antimicrobial activities. Compounds and exhibited strong inhibitory activities against COX-1 and COX-2. Molecular docking analysis of conferred favorable binding against COX-2. Sparticolin H () and A () showed a moderate antiproliferative effect against myelogenous leukemia K-562 cells and weak cytotoxicity against HeLa and mouse fibroblast cells.
在固体大米上进行的腐生真菌的无菌发酵，提供了两种新的高度氧化的萘并多酮衍生物，sparticatechol A () 和 sparticolin H () 以及 sparticolin A ()。基于它们的 NMR 和 HR-ESIMS 光谱数据，阐明了和的结构。使用电子圆二色性（ECD）实验和时变密度泛函理论（TDDFT）计算来确定绝对构型的分配。评估了化合物对 COX 抑制、抗增殖、细胞毒性和抗菌活性。化合物和对 COX-1 和 COX-2 表现出强烈的抑制活性。对的分子对接分析表明其对 COX-2 的结合具有良好的亲和力。Sparticolin H () 和 A () 对髓性白血病 K-562 细胞表现出中等的抗增殖作用，对 HeLa 和小鼠成纤维细胞表现出较弱的细胞毒性。
