Opik Taupiqurrohman, Firman Rezaldi, Dina Amalia, Y. Suryani
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引用次数: 8
摘要
康普茶具有抗癌功效,因为它含有二甲基2-(2-羟基-2-甲氧基丙啶)丙酸酯化合物。本研究旨在通过分子对接、药物相似谱、ADMET测试等硅内方法验证化合物二甲基2-(2-羟基-2-甲氧基丙啶)丙二酸二甲酯的抗癌作用。使用的工具是PyRx、Discovery Studio Visualizer、Sanjeevini和pkCSM。研究材料由3D二甲基2-(2-羟基-2-甲氧基丙啶)丙二酸酯和表皮生长因子受体(EGFR)组成。分析结果表明二甲基2-(2-羟基-2-甲氧基丙pilidine)丙二酸酯可以安全食用,并能抑制癌细胞。
Anticancer Potency of Dimethyl 2-(2-Hydroxy-2-Methoxypropilidine) Malonate in Kombucha
Kombucha has an anticancer potency because it has dimethyl 2-(2-hydroxy-2-methoxypropilidine) malonate compound. The research aimed to verify the compound dimethyl 2-(2-hydroxy-2-methoxypropilidine) malonate as an anticancer with the in-silico method, namely the molecular docking approach, drug likeness profile, and ADMET test. The tools used were the PyRx, Discovery Studio Visualizer, Sanjeevini, and pkCSM. The research material consisted of 3D Dimethyl 2-(2-Hydroxy-2-Methoxypropilidine) Malonate and Epidermal Growth Factor Receptor (EGFR). The analysis showed Dimethyl 2-(2-Hydroxy-2-Methoxypropilidine) Malonate is safe for consumption and can suppress cancer cells.