Systematic review and QSPR analysis of chemical penetration through the nail to inform onychomycosis candidate selection
Systematic review and QSPR analysis of chemical penetration through the nail to inform onychomycosis candidate selection
复制标题
对指甲化学渗透的系统评价和 QSPR 分析，为甲癣候选者选择提供信息
DOI：
10.1016/j.drudis.2023.103844
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发表时间：
2024
影响因子：
7.4
通讯作者：
Malallah O
中科院分区：
文献类型：
--
作者：
Malallah O
重点整理了描述化学物质穿透人体指甲的数据集。低分子量被证明是有效穿透甲板的关键，最好是120 g/mol。化学极性对化学物质穿透甲板没有影响。在新的筛查后甲真菌病候选选择中，可以有效穿透指甲而不是皮肤的小极性分子应该被设置为最理想的目标化学特性。顽固性甲板感染可能是终生问题，因为将抗真菌药物定位到受感染的组织中是有问题的。在这篇系统的综述中，我们在Spider方法的指导下，从16篇文章中提取了38个化合物的化学指甲渗透数据，并使用定量结构-性质关系(QSPR)对数据进行了分析。我们的分析表明，低分子量对于有效的指甲渗透是必不可少的，<；120g/mol是首选。有趣的是，化学极性对指甲穿透几乎没有影响；因此，在新的筛查后甲真菌病候选选择中，可以有效穿透指甲但不能穿透皮肤的小极性分子应该被设置为最理想的靶化学特性。
HighlightsA data set describing chemical penetration through the human nail was collated.Low molecular weight was shown to be essential for effective nail plate penetration, with< 120 g/mol being preferred.Chemical polarity had no effect on chemical penetration through the nail plate.Small polar molecules, which effectively penetrate the nail, but not the skin, should be set as the most desirable target chemical properties in new post-screen onychomycosis candidate selection.Recalcitrant nail plate infections can be life-long problems because localizing antifungal agents into infected tissues is problematic. In this systematic review, guided by the SPIDER method, we extracted chemical nail permeation data for 38 compounds from 16 articles, and analyzed the data using quantitative structure–property relationships (QSPRs). Our analysis demonstrated that low-molecular weight was essential for effective nail penetration, with< 120 g/mol being preferred. Interestingly, chemical polarity had little effect on nail penetration; therefore, small polar molecules, which effectively penetrate the nail, but not the skin, should be set as the most desirable target chemical property in new post-screen onychomycosis candidate selections.