Fermentation of the marine-derived fungus Aspergillus falconensis, isolated from sediment collected from the Red Sea, Egypt on solid rice medium containing 3.5% NaCl yielded a new dibenzoxepin derivative (1) and a new natural isocoumarin (2) along with six known compounds (3–8). Changes in the metabolic profile of the fungus were induced by replacing NaCl with 3.5% (NH₄)₂SO₄ that resulted in the accumulation of three further known compounds (9–11), which were not detected when the fungus was cultivated in the presence of NaCl. The structures of the new compounds were elucidated by HRESIMS and 1D/2D NMR as well as by comparison with the literature. Molecular docking was conducted for all isolated compounds on crucial enzymes involved in the formation, progression and metastasis of cancer which included human cyclin-dependent kinase 2 (CDK-2), human DNA topoisomerase II (TOP-2) and matrix metalloproteinase 13 (MMP-13). Diorcinol (7), sulochrin (9) and monochlorosulochrin (10) displayed notable stability within the active pocket of CDK-2 with free binding energy (ΔG) equals to −25.72, −25.03 and −25.37 Kcal/mol, respectively whereas sulochrin (9) exerted the highest fitting score within MMP-13 active center (ΔG = −33.83 Kcal/mol). In vitro cytotoxic assessment using MTT assay showed that sulochrin (9) exhibited cytotoxic activity versus L5178Y mouse lymphoma cells with an IC₅₀ value of 5.1 µM and inhibition of migration of MDA-MB 231 breast cancer cells at a concentration of 70 µM.

在含有 3.5% NaCl 的固体稻米培养基上从埃及红海收集的沉积物中分离出的海洋来源真菌Aspergillus falconensis发酵产生了一种新的二苯并恶英衍生物 ( 1 ) 和一种新的天然异香豆素 ( 2 ) 以及六种已知化合物 ( 3 – 8 )。通过用 3.5% (NH ₄ ) ₂ SO ₄代替 NaCl 来诱导真菌代谢谱的变化，这导致三种其他已知化合物的积累 ( 9 – 11))，当真菌在 NaCl 存在下培养时未检测到。新化合物的结构通过HRESIMS和1D/2D NMR以及与文献比较来阐明。对参与癌症形成、进展和转移的关键酶的所有分离化合物进行了分子对接，其中包括人细胞周期蛋白依赖性激酶 2 (CDK-2)、人 DNA 拓扑异构酶 II (TOP-2) 和基质金属蛋白酶 13 (MMP) -13）。Diorcinol ( 7 )、sulochrin ( 9 ) 和 monochlorosulochrin ( 10 ) 在 CDK-2 的活性口袋内表现出显着的稳定性，其自由结合能 (ΔG) 分别等于 -25.72、-25.03 和 -25.37 Kcal/mol，而 sulochrin ( 9) 在 MMP-13 活性中心 (ΔG = -33.83 Kcal/mol) 内发挥了最高的拟合分数。使用 MTT 测定法进行的体外细胞毒性评估表明，sulochrin ( 9 ) 对 L5178Y 小鼠淋巴瘤细胞表现出细胞毒性活性，IC ₅₀值为 5.1 µM，并在 70 µM 的浓度下抑制 MDA-MB 231 乳腺癌细胞的迁移。