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Structural data of DNA binding and molecular docking studies of dihydropyrimidinone transition metal complexes

机译:二氢嘧啶酮过渡金属配合物的DNA结合结构数据和分子对接研究

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摘要

A series of some novel copper complexes derived from Biginelli condensation of DHPHS. The ligand and its transition metal complexes show more antimicrobial activities which was substantiated by molecular docking studies. Transition metal complexes four possess antioxidant properties supported by the DNA-binding, cleavage, and viscosity measurement (Prasad et al., 2011) . The in Silicon DNA binding reveals copper complex is bound to be Minor groove and other manganese, cobalt, nickel complexes are bound to the Major groove portion of DNA through hydrogen bonds and hence copper (II), manganese (II), cobalt (II), nickel (II) complexes are called Minor groove and Major groove binder respectively. The DNA cleavage studies of metal complexes presented more protruding activity in the attendance of H2O2 associated to that in the absence of H2O2. In continuance of our ongoing research on DNA binding and cleavage happenings of transition metal complexes, in this paper we obtainable the synthesis, characterization and DNA cleavage activities.
机译:由DHPHS的Biginelli缩合衍生的一系列新型铜络合物。配体及其过渡金属络合物显示出更多的抗菌活性,这已通过分子对接研究得到证实。过渡金属配合物四种具有抗氧化特性,这通过DNA结合,裂解和粘度测量得到支持(Prasad等,2011)。硅中DNA的结合揭示了铜配合物被绑定为次要凹槽,而其他锰,钴,镍配合物则通过氢键与DNA的主要凹槽部分相连,因此铜(II),锰(II),钴(II) ,镍(II)配合物分别称为次要沟槽粘合剂和主要沟槽粘合剂。金属配合物的DNA裂解研究表明,与不存在H2O2时相比,在H2O2的存在下具有更突出的活性。在继续进行过渡金属配合物的DNA结合和裂解研究的过程中,本文获得了合成,表征和DNA裂解的活性。

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