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首页> 外文期刊>Saudi Pharmaceutical Journal >Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates
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Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates

机译:基于学位的拓扑索引和透明质酸 - 姜黄素缀合物多项式

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Quantitative structure–activity relationship (QSAR) represents quantitative correlation of chemical structural features called as molecular descriptors and pharmacological activity as response endpoints. Topological index is a molecular descriptor extensively used to study QSAR of pharmaceuticals to assess their molecular characteristics by numerical computation. Theoretical assessment of drug like molecules helps to expedite the drug design and discovery process by rationalizing the lead identification, lead optimization and understanding their mechanism of actions. Therefore, in this article, we have computed the general inverse sum indeg index, ISI α , β of Hyaluronic acid-curcumin conjugates by using molecular structure analysis and edge partitioning technique. Many standard topological indices are obtained as a special case of ISI α , β . We also proposed general inverse sum indeg polynomial ISI α , β ( G n , x ) of Hyaluronic acid-curcumin conjugates from which many well-known polynomials are deduced.
机译:定量结构 - 活性关系(QSAR)表示称为分子描述仪和药理学活性作为响应终点的化学结构特征的定量相关性。拓扑指数是广泛用于研究药物Qsar的分子描述符,以通过数值计算评估它们的分子特性。药物等药物的理论评估有助于通过合理化铅鉴定,铅优化和了解其行动机制来帮助加快药物设计和发现过程。因此,在本文中,我们通过使用分子结构分析和边缘分配技术计算了透明质酸 - 姜黄素缀合物的一般反相Indeg指标,ISIα,β。获得许多标准拓扑指数作为ISIα,β的特殊情况。我们还提出了透明质酸 - 姜黄蛋白缀合物的一般反相indeg多项式ISIα,β(g n,x),其中推导出许多公知多项式的许多众所周知的多项式。

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