首页> 外文期刊>Bioorganic and Medicinal Chemistry Letters >Comparative protein modeling and surface analysis of Leishmania sirtuin: A potential target for antileishmanial drug discovery.
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Comparative protein modeling and surface analysis of Leishmania sirtuin: A potential target for antileishmanial drug discovery.

机译:利什曼原虫sirtuin的比较蛋白质建模和表面分析:抗疟疾药物发现的潜在目标。

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摘要

Homology model of Leishmania SIR2 shed new light on the ligand binding features of this enzyme. The molecular electrostatic potentials (MESP), the cavity depth analysis, and LmSIR2-hSIRT2 models' superposition suggested that the nicotinamide binding catalytic domain has several minor but potentially important structural differences. These differences could be exploited for designing antileishmanial compounds.
机译:利什曼原虫SIR2的同源性模型为该酶的配体结合特征提供了新的思路。分子静电势(MESP),腔深度分析和LmSIR2-hSIRT2模型的叠加表明,烟酰胺结合催化结构域具有一些微小但潜在的重要结构差异。这些差异可用于设计抗风虫化合物。

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