Pharmacokinetics is very important in target validation and in shifting a lead compound into a drug. It is a cumbersome process in clinical research. A quantitative personation based on computed, pharmacokinetics, physicochemical properties, ILOGP, drug-likeness, medicinal chemistry friendliness, bioavailability radar and BOILED-Egg for all the synthesized, 6 novel compounds have been assessed using Swiss ADME. An effective drug can be produced from the physicochemical properties discussed in this model. The physicochemical properties of all designed Schiff bases of curcumin have been found to be optimal and so, they are perceived to have acceptable oral absorption and adequate permeability. All the monomers obeyed the rule of five by Lipinski and the oral bioavailability is accounted worldwide. The desired set of monomers have been enhanced by effective ADME screening and molecular simulation methods with Microtubuleassociated protein tau (MAPT) (PDB code: 10636) receptor could represent favourable building blocks as preferable chemotherapeutic factor in resistance to Alzheimers disease.

中文翻译：

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为高度流行的阿尔茨海默病确定具有临床意义的新候选药物

药代动力学在靶标验证和将先导化合物转化为药物方面非常重要。在临床研究中，这是一个繁琐的过程。基于计算、药代动力学、理化特性、ILOGP、药物相似性、药物化学友好性、生物利用度雷达和 BOILED-Egg 的定量分析，已使用 Swiss ADME 评估了所有合成的 6 种新化合物。可以从该模型中讨论的物理化学特性中生产出有效的药物。已发现姜黄素的所有设计的席夫碱的理化性质是最佳的，因此，它们被认为具有可接受的口服吸收和足够的渗透性。所有单体都遵循 Lipinski 的五法则，口服生物利用度在全球范围内都有体现。