Carbonic anhydrase (CA II) inhibitors are very important therapeutic targets in drug design for treatment of neuropathic pain and in eradication of glaucoma, cancer, epilepsy, ulcer and obesity. In this study, some two2‐substituted benzoxazoles (3a‐j ) were developed as a new family of carbonic anhydrase II inhibitors by employing acyl thiourea chemistry via a simple and expedient protocol and evaluated for CA II inhibitor activity and radical scavenging ability. Compounds 3f and 3j were found to be the most potent inhibitors, with IC₅₀ values of 0.00564 and 0.00596 μM, respectively which are several times better than that of the standard, acetazolamide (IC₅₀ value 0.997 ± 0.0586 μM). Docking experiments were carried out against the carbonic anhydrase II crystal structure to better rationalize the inhibitory activities of these new structures. Moreover, the results of a DPPH radical scavenging assay showed that the antioxidant profile of compound 3i is superior to those of other derivatives. The results have revealed that derivatives 3f and 3j behave as CA‐II inhibitors significantly better than standard and 3i has good anti‐oxidation potential.

中文翻译：

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新型N-（苯并[d]恶唑-2-基）烷基酰胺; 合成和碳酸酐酶II抑制研究

碳酸酐酶（CA II）抑制剂是药物设计中非常重要的治疗靶标，用于治疗神经性疼痛以及根除青光眼，癌症，癫痫，溃疡和肥胖症。在这项研究中，通过简单便捷的方案采用酰基硫脲化学方法，开发了一些2-2-取代的苯并恶唑类化合物（3a-j）作为碳酸酐酶II抑制剂的新家族，并评估了CA II抑制剂的活性和自由基清除能力。发现化合物3f和3j是最有效的抑制剂，其IC ₅₀值分别为0.00564和0.00596μM，比标准的乙酰唑胺（IC _50）好几倍。值0.997±0.0586μM）。针对碳酸酐酶II晶体结构进行了对接实验，以更好地合理化这些新结构的抑制活性。此外，DPPH自由基清除测定法的结果表明，化合物3i的抗氧化特性优于其他衍生物。结果表明，衍生物3f和3j作为CA-II抑制剂的行为明显优于标准品，而3i具有良好的抗氧化能力。