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Abstract：
Flavonoids are promising therapeutics for the treatment of Alzheimer\'s disease (AD). Therefore, it is of interest to study the anti-AD potential of 35 flavonoids towards the inhibition of AchE and BACE-1. Hence, the physicochemical, pharmacokinetic parameters, toxicity risk and drug-likeliness of the selected 35 flavonoids were computed. Further, the molecular docking analysis of flavonoids with AChE and BACE-1 were completed. A binding energy of -10.42 kcal/mol Epicatechin gallate, -10.16 kcal/mol sterubin and -10.11 kcal/mol Fisetin was observed with AchE as potential inhibitors. Similarly, Biochainin-A -9.81kcal/mol, Sterubin -8.96 kcal/mol and Epicatechin gallate -7.4 7 kcal/mol showed with BACE-1. Thus, these flavonoids are potential leads for structure-based design of effective anti-Alzheimer\'s agents.
摘要：
黄酮类化合物是治疗阿尔茨海默病（AD）的有希望的治疗剂。因此,研究35种类黄酮抑制AchE和BACE-1的抗AD潜力是有意义的。因此，物理化学，药代动力学参数，计算了所选35种类黄酮的毒性风险和药物可能性。Further,完成了黄酮类化合物与AChE和BACE-1的分子对接分析。结合能为-10.42kcal/mol表儿茶素没食子酸酯，观察到-10.16kcal/mol胸苷和-10.11kcal/molFisetin，AchE作为潜在抑制剂。同样，Biochainin-A-9.81kcal/mol,BACE-1显示为-8.96kcal/mol和表儿茶素没食子酸酯-7.47kcal/mol。因此，这些类黄酮是基于结构的有效抗阿尔茨海默病药物设计的潜在线索。
