College of Science, Chemistry Department, Imam Mohammad Ibn Saud Islamic University, Riyadh 11623, Saudi Arabia.
College of Science, Chemistry Department, Imam Mohammad Ibn Saud Islamic University, Riyadh 11623, Saudi Arabia; Department of Toxic and Narcotic Drug, Forensic Medicine, Mansoura Laboratory, Medicolegal Organization, Ministry of Justice, Egypt.
Bioorg Med Chem Lett. 2022 Dec 1;77:129042. doi: 10.1016/j.bmcl.2022.129042. Epub 2022 Nov 1.
Triazine-linked triazole compounds (4a-j) were designed, synthesized, and then examined for their anticonvulsant abilities. Compounds 4e, 4f, 4g, 4i, and 4j displayed significant anticonvulsant activity in both maximum electroshock seizure (MES) and pentylenetetrazole (PTZ) induced seizure during the preliminary screening. The phase II anticonvulsant activity statistics revealed that compounds 4e, 4f, 4g, 4i, and 4j demonstrated excellent activity as compared to the conventional drugs methaqualone and valproate, supporting the potential of these triazine-linked triazole analogues as novel anticonvulsant agents. To take use of the findings, computational parameters including docking analysis and drug-likeness prediction were carried out. Molecular modelling studies supported the essential pharmacophoric information that the structure activity relationship offered. The triazine-linked triazole analogues that were investigated might be viewed as helpful models for future research and derivatization.
三嗪连接的三唑化合物（4a-j）被设计、合成，并对其抗惊厥活性进行了研究。在初步筛选中，化合物 4e、4f、4g、4i 和 4j 在最大电休克惊厥（MES）和戊四氮（PTZ）诱导的惊厥中均显示出显著的抗惊厥活性。二期抗惊厥活性统计数据表明，与传统药物甲喹酮和丙戊酸钠相比，化合物 4e、4f、4g、4i 和 4j 表现出优异的活性，这表明这些三嗪连接的三唑类似物具有作为新型抗惊厥药物的潜力。为了利用这些发现，进行了包括对接分析和药物相似性预测在内的计算参数研究。分子建模研究支持了结构活性关系提供的必需药效团信息。所研究的三嗪连接的三唑类似物可以被视为未来研究和衍生化的有用模型。
