College of Food Science and Engineering, Jilin University, Changchun, China.
College of Food Science and Engineering, Jilin University, Changchun, China.
Int J Food Microbiol. 2022 Oct 2;378:109817. doi: 10.1016/j.ijfoodmicro.2022.109817. Epub 2022 Jun 20.
In this work, by using high throughput virtual screening and bioactivity assays, this work revealed that three natural compounds, mulberrin (Mul) exhibiting the highest anti-CYP51 activity, isoxanthohumol and (s)-isopsoralen markedly inhibited 14α-demethylase (a pivotal biosynthetic enzyme involved in the biosynthesis of ergosterol) in Colletotrichum gloeosporioides. Results of computational biology analysis demonstrated that, among the three inhibitors bound to the catalytic pocket of CYP51, Mul showed a closer distance with heme in CYP51 and a stronger binding free energy with CYP51. In vitro tests, Mul demonstrated excellent anti-Colletotrichum gloeosporioides activity by inhibiting CYP51 activity. Notably, Mul treatment decreased the bioactivity of CYP51, thereby increasing cell membrane permeability and cell death. Moreover, Mul treatment significantly prolonged the preservation period of fruits. These results suggest that Mul suppresses anthracnose in postharvest mango by inhibiting the growth of Colletotrichum gloeosporioides and can be used as a potential natural preserving agent.
在这项工作中，通过高通量虚拟筛选和生物活性测定，本工作揭示了三种天然化合物，具有最高抗 CYP51 活性的 mulberrin（Mul）、异黄腐醇和（s）-异补骨脂素，显著抑制了胶孢炭疽菌中的 14α-脱甲基酶（一种参与麦角固醇生物合成的关键生物合成酶）。计算生物学分析的结果表明，在与 CYP51 催化口袋结合的三种抑制剂中，Mul 与 CYP51 中的血红素的距离更近，与 CYP51 的结合自由能更强。体外试验表明，Mul 通过抑制 CYP51 活性表现出优异的抗胶孢炭疽菌活性。值得注意的是，Mul 处理降低了 CYP51 的生物活性，从而增加了细胞膜通透性和细胞死亡。此外，Mul 处理显著延长了果实的保存期。这些结果表明，Mul 通过抑制胶孢炭疽菌的生长来抑制采后芒果炭疽病，可用作潜在的天然保鲜剂。
