Alghamdi Afnan Ahmed, Alam Mohammad Mahboob, Nazreen Syed
Department of Chemistry, Faculty of Science, Albaha University, Albaha Saudi Arabia.
Turk J Chem. 2020 Aug 18;44(4):1068-1084. doi: 10.3906/kim-1912-55. eCollection 2020.
In the present work, a library of fifteen 2-hydroxy benzothiazole-linked 1,3,4 -oxadiazole derivatives have been synthesized and confirmed using different analytical techniques. All of the synthesized compounds have been tested for antibacterial and in silico pharmacokinetic studies for the first time. From the ADME predictions, compound 4 showed the highest in silico absorption percentage (86.77%), while most of the compounds showed more than 70% absorption. All of the compounds comply with the Lipinski rule of 5, suggesting that the compounds possess good drug likeness properties upon administration. Furthermore, all of the compounds follow the Veber rule, indicating good bioavailability and good intestinal absorption. The antibacterial results exhibited excellent to moderate activity. Compounds , , , , , , and were the most active compounds against the tested bacterial strains. Compound showed comparable MIC 6.25 ±0.2 μg/disc to the standard drug amoxicillin against the tested Gram-positive bacterial strains. Compounds , , exhibited MIC 12.5 ±0.8 μg/disc, which was comparable to the standard drug against . It can be concluded that the synthesized compound could be used as a lead molecule in the development of new antibacterial agents with high efficacy.
在本研究中，已合成了一个包含十五种2-羟基苯并噻唑连接的1,3,4-恶二唑衍生物的文库，并使用不同的分析技术进行了确证。所有合成的化合物均首次进行了抗菌和计算机模拟药代动力学研究。根据ADME预测，化合物4显示出最高的计算机模拟吸收百分比（86.77%），而大多数化合物的吸收超过70%。所有化合物均符合Lipinski的五规则，表明这些化合物在给药时具有良好的类药性质。此外，所有化合物均符合Veber规则，表明具有良好的生物利用度和良好的肠道吸收。抗菌结果显示出优异至中等的活性。化合物 、 、 、 、 、 和 是对测试细菌菌株最具活性的化合物。化合物 对测试的革兰氏阳性细菌菌株显示出与标准药物阿莫西林相当的MIC 6.25±0.2 μg/片。化合物 、 、 表现出MIC 12.5±0.8 μg/片，与针对 的标准药物相当。可以得出结论，合成的化合物可作为开发高效新型抗菌剂的先导分子。
