Ünver Yasemin, ÜnlÜer Dilek, Dİrekel Şahin, DurdaĞi Serdar
Department of Chemistry, Faculty of Science, Karadeniz Technical University, Trabzon Turkey.
Department of Medical Microbiology, Faculty of Medicine, Giresun University, Giresun Turkey.
Turk J Chem. 2020 Aug 18;44(4):1164-1176. doi: 10.3906/kim-2004-78. eCollection 2020.
Since benzo [ ] thiophene scaffold is one of the privileged structures in drug discovery as this core exhibitsactivities for different biological problems, in this study bis (benzo[ ]thiophene-2-yl) alkyl methanimine derivatives (1-9) were synthesized by reacting benzo[ ]thiophene-2-carbaldehyde with diamines. All newly compounds were characterized by IR, H NMR and C NMR spectroscopic methods. Synthesized compounds were investigated using binary QSARbased models on therapeutic activity prediction of synthesized compounds and they showed high predicted activities in following diseases: bacterial, angina, allergy, depression and obesity. Thus, they were then tested for their antimicrobial and antileishmanial activities as a result of this theoretical study. Compound 1(N, N'- (propane-1,3-diyl) bis (1-(benzo [ ] thiophene-2-yl)) methanimine) was found the most active compound in both diseases. Thus, its molecular docking studies were also carried out.
由于苯并噻吩骨架是药物研发中具有优势的结构之一，因为该核心结构对不同的生物学问题都表现出活性，在本研究中，通过使苯并噻吩-2-甲醛与二胺反应合成了双（苯并噻吩-2-基）烷基甲亚胺衍生物（1-9）。所有新化合物均通过红外光谱、氢核磁共振光谱和碳核磁共振光谱方法进行了表征。使用基于二元定量构效关系的模型对合成化合物的治疗活性预测进行了研究，结果表明它们在以下疾病中表现出较高的预测活性：细菌感染、心绞痛、过敏、抑郁症和肥胖症。因此，基于该理论研究，随后对它们的抗菌和抗利什曼原虫活性进行了测试。化合物1（N，N'-（丙烷-1,3-二基）双（1-（苯并噻吩-2-基））甲亚胺）被发现是这两种疾病中活性最高的化合物。因此，还对其进行了分子对接研究。
