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Review Article

咪唑-吡啶杂化衍生物:一种新型的抗癌DNA插入剂

卷 27, 期 1, 2020

页: [154 - 169] 页: 16

弟呕挨: 10.2174/0929867326666181220094229

价格: $65

摘要

抗微生物和抗肿瘤药物缺乏特异性和后续疗效是治疗中常见的困难。本研究的目的是通过实验和计算的方法来研究一系列合成的咪唑-吡啶衍生物的抗肿瘤和抗菌性能。讨论了与三个目标的相互作用：Dickerson-Drew十二聚体(PDB id 2ADU)， g -四联DNA链(PDB id 2F8U)和双加氧酶复合物中的DNA菌株(PDB id 3S5A)。对接能量的计算和图形化表示。在此基础上，建立了QSAR模型，进一步研究其构效关系。结果表明，合成的化合物具有抗肿瘤和抗菌作用。计算结果与实验数据相符。

关键词: 抗癌药，DNA嵌入剂，对接，结合位点，咪唑与吡啶的杂化衍生物，QSAR模型。

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