关键词: QSPR absorption discovery infection nail onychomycosis

Mesh : Humans Administration, Topical Antifungal Agents / pharmacology chemistry Nails Onychomycosis / drug therapy microbiology Skin Quantitative Structure-Activity Relationship

来  源:   DOI:10.1016/j.drudis.2023.103844

Abstract:
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.
摘要:
顽固的指甲板感染可能是终生的问题,因为将抗真菌药物定位于感染的组织中是有问题的。在这次系统审查中,在SPIDER方法的指导下,我们从16篇文章中提取了38种化合物的化学指甲渗透数据,并使用定量结构-性质关系(QSPRs)分析数据。我们的分析表明,低分子量对于有效的指甲渗透至关重要,优选<120g/mol。有趣的是,化学极性对指甲渗透的影响很小;因此,小极性分子,有效地穿透指甲,但不是皮肤,在新的筛选后甲癣候选选择中,应将其设置为最理想的目标化学性质。
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