Department of Chemistry, Institute of Food Sciences, Warsaw University of Life Sciences-SGGW, 02776 Warsaw, Poland.
Department of Biochemistry and Forensic Science, Nigeria Police Academy, Wudil P.O. Box 14830, Nigeria.
Molecules. 2022 Aug 7;27(15):5024. doi: 10.3390/molecules27155024.
Green chemistry approaches, such as lipase-catalyzed esterification, are promising methods for obtaining valuable chemical compounds. In the case of the use of lipases, unlike in aqueous environments, the processes of the ester bond formations are encountered in organic solvents. The aim of the current research was to carry out the lipase-catalyzed synthesis of an ester of dihydrocaffeic acid. The synthesized compound was then evaluated for antioxidant and antimicrobial activities. However, the vast majority of its antioxidant activity was retained, which was demonstrated by means of DPPH· (2,2-diphenyl-1-picrylhydrazyl) and CUPRAC (cupric ion reducing antioxidant capacity) methods. Regarding its antimicrobial properties, the antifungal activity against is worth mentioning. The minimum inhibitory and fungicidal concentrations were 1 and 2 mM, respectively. The high antifungal activity prompted the use of molecular docking studies to verify potential protein targets for butyl ester of dihydrocaffeic ester. In the case of one fungal protein, namely 14-α sterol demethylase B, it was observed that the ester had comparable binding energy to the triazole medication, isavuconazole, but the interacted amino acid residues were different.
绿色化学方法，如脂肪酶催化酯化反应，是获得有价值化学化合物的有前途的方法。在使用脂肪酶的情况下，与水相环境不同，酯键形成过程在有机溶剂中遇到。目前研究的目的是进行二氢咖啡酸的酯化合成。然后评估合成化合物的抗氧化和抗菌活性。然而，其抗氧化活性的绝大部分得以保留，这通过 DPPH·（2,2-二苯基-1-苦基肼基）和 CUPRAC（铜离子还原抗氧化能力）方法得以证明。关于其抗菌性能，值得一提的是对 的抗真菌活性。最小抑菌和杀菌浓度分别为 1 和 2 mM。高抗真菌活性促使使用分子对接研究来验证二氢咖啡酸丁酯的潜在蛋白靶标。对于一种真菌蛋白，即 14-α 甾醇脱甲基酶 B，观察到酯与三唑药物伊曲康唑具有可比的结合能，但相互作用的氨基酸残基不同。
