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使用扩散排序光谱、饱和转移差异和一维核磁共振对复杂混合物中十六烷基氯化吡啶可用性进行建模，以预测抗菌活性。

Modelling of Cetylpyridinium Chloride Availability in Complex Mixtures for the Prediction of Anti-Microbial Activity Using Diffusion Ordered Spectroscopy, Saturation Transfer Difference and 1D NMR.

作者信息

Robertson Cameron, Batabyal Sayoni, Whitworth Darren, Coban Tomris, Smith Angharad, Montesanto Alessandra, Lucas Robert, Le Gresley Adam

机构信息

Department of Chemical and Pharmaceutical Sciences, Faculty of HSSCE, Kingston University, Kingston-upon-Thames KT1 2EE, UK.

Haleon, Weybridge KT13 0NY, UK.

出版信息

Pharmaceuticals (Basel). 2024 Nov 22;17(12):1570. doi: 10.3390/ph17121570.

DOI:10.3390/ph17121570
PMID:39770413
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11679348/
Abstract

A range of NMR techniques, including diffusion ordered spectroscopy (DOSY) were used to characterise complex micelles formed by the anti-microbial cationic surfactant cetylpyridium chloride and to quantify the degree of interaction between cetylpyridium chloride and hydroxyethyl cellulose in a variety of commercially relevant formulations as a model for the disk retention assay. This NMR-derived binding information was then compared with the results of formulation analysis by traditional disk retention assay (DRA) and anti-microbial activity assays to assess the suitability of these NMR techniques for the rapid identification of formulation components that could augment or retard antimicrobial activity DRA. NMR showed a strong ability to predict anti-microbial activity for a diverse range of formulations containing cetylpyridinium chloride (CPC). This demonstrates the value of this NMR-based approach as a rapid, relatively non-destructive method for screening commercial experimental anti-microbial formulations for efficacy and further helps to understand the interplay of excipients and active ingredients.

摘要

一系列核磁共振技术，包括扩散有序光谱法（DOSY），被用于表征由抗菌阳离子表面活性剂十六烷基氯化吡啶形成的复合胶束，并量化十六烷基氯化吡啶与羟乙基纤维素在各种具有商业相关性的配方中的相互作用程度，以此作为纸片滞留试验的模型。然后，将这种源自核磁共振的结合信息与传统纸片滞留试验（DRA）和抗菌活性试验的配方分析结果进行比较，以评估这些核磁共振技术对于快速鉴定可能增强或抑制抗菌活性DRA的配方成分的适用性。核磁共振显示出对多种含十六烷基氯化吡啶（CPC）配方的抗菌活性具有很强的预测能力。这证明了这种基于核磁共振的方法作为一种快速、相对无损的方法用于筛选商业实验抗菌配方疗效的价值，并进一步有助于理解辅料与活性成分之间的相互作用。

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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d879/11679348/a0b934035a51/pharmaceuticals-17-01570-sch001.jpg

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