Diabetic complications follow multiple pathophysiological pathways involving aldose reductase (ALR2)‐mediated polyol pathway, advanced glycation end products (AGEs) and reactive oxygen species formation. Literature suggests ALR2 inhibitors such as epalrestat to possess significant potential in retinopathy and neuropathy. Thus, in this study, multiple pathophysiology directed molecules targeting ALR2, AGEs and free radicals formation were designed using in silico techniques. Initially, database was screened via in silico tools to obtain hits with affinity for the catalytic domain of ALR2. Additional focus was laid on the presence of structural attributes responsible for AGE's inhibitory and anti‐oxidant potential. Out of obtained hits, 2‐benzoxazolinone scaffold was selected and ten derivatives were synthesized accordingly. Finally, the synthesized molecules were evaluated for their ALR2 and AGEs inhibitory activities along with free radical scavenging potency.

中文翻译：

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鉴定2-苯并恶唑啉酮衍生物作为抗糖尿病并发症分子靶标的先导

糖尿病并发症遵循多种病理生理途径，包括醛糖还原酶（ALR2）介导的多元醇途径，晚期糖基化终产物（AGEs）和活性氧的形成。文献表明，ALR2抑制剂（例如依帕司他）在视网膜病变和神经病变方面具有显着潜力。因此，在这项研究中，使用计算机技术设计了针对ALR2，AGEs和自由基形成的多种针对病理生理的分子。最初，通过计算机软件筛选数据库，以获得对ALR2催化域具有亲和力的命中数据。另一个重点放在了负责AGE的抑制和抗氧化潜力的结构属性的存在上。从获得的命中中，选择2-苯并恶唑啉酮骨架，并据此合成十种衍生物。最后，