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肽的反相融合核高效液相色谱建模

Reversed-phase fused-core HPLC modeling of peptides.

作者信息

D'Hondt Matthias, Gevaert Bert, Stalmans Sofie, Van Dorpe Sylvia, Wynendaele Evelien, Peremans Kathelijne, Burvenich Christian, De Spiegeleer Bart

机构信息

Drug Quality and Registration (DruQuaR) group, Faculty of Pharmaceutical Sciences, Ghent University, Harelbekestraat 72, B-9000 Ghent, Belgium.

Departments of Medical Imaging and Physiology, Faculty of Veterinary Medicine, Ghent University, Salisburylaan 133, B9820 Merelbeke, Belgium.

出版信息

J Pharm Anal. 2013 Apr;3(2):93-101. doi: 10.1016/j.jpha.2012.11.002. Epub 2012 Nov 30.

DOI:10.1016/j.jpha.2012.11.002
PMID:29403802
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5760978/
Abstract

Different fused-core stationary phase chemistries (C18, Amide, Phenyl-hexyl and Peptide ES-C18) were used for the analysis of 21 structurally representative model peptides. In addition, the effects of the mobile phase composition (ACN or MeOH as organic modifier; formic acid or acetic acid, as acidifying component) on the column selectivity, peak shape and overall chromatographic performance were evaluated. The RP-amide column, combined with a formic acid-acetonitrile based gradient system, performed as best. A peptide reversed-phase retention model is proposed, consisting of 5 variables: log SumAA, log Sv, clog P, log nHDon and log nHAcc. Quantitative structure-retention relationship (QSRR) models were constructed for 16 different chromatographic systems. The accuracy of this peptide retention model was demonstrated by the comparison between predicted and experimentally obtained retention times, explaining on average 86% of the variability. Moreover, using an external set of 5 validation peptides, the predictive power of the model was also demonstrated. This peptide retention model includes the novel calculated amino acid descriptor, AA, which was calculated from log P, 3D-MoRSE, RDF and WHIM descriptors.

摘要

采用不同的融合核固定相化学组成（C18、酰胺、苯基己基和肽ES-C18）对21种具有结构代表性的模型肽进行分析。此外，还评估了流动相组成（以乙腈或甲醇作为有机改性剂；以甲酸或乙酸作为酸化成分）对柱选择性、峰形和整体色谱性能的影响。RP-酰胺柱与基于甲酸-乙腈的梯度系统相结合时表现最佳。提出了一种肽反相保留模型，该模型由5个变量组成：log SumAA、log Sv、clog P、log nHDon和log nHAcc。针对16种不同的色谱系统构建了定量结构-保留关系（QSRR）模型。通过比较预测保留时间和实验获得的保留时间，证明了该肽保留模型的准确性，平均解释了86%的变异性。此外，使用一组5种验证肽的外部数据集，也证明了该模型的预测能力。该肽保留模型包括新计算的氨基酸描述符AA，它是根据log P、3D-MoRSE、RDF和WHIM描述符计算得出的。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec48/5760978/cd2fed477a81/fx00.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec48/5760978/ca80c2f6fa8c/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec48/5760978/6602ad428f0d/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec48/5760978/4ab13eeaae3b/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec48/5760978/cd2fed477a81/fx00.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec48/5760978/ca80c2f6fa8c/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec48/5760978/6602ad428f0d/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec48/5760978/4ab13eeaae3b/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec48/5760978/cd2fed477a81/fx00.jpg

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2
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Am J Health Syst Pharm. 2012 Feb 1;69(3):232-40. doi: 10.2146/ajhp110208.
3
Brainpeps: the blood-brain barrier peptide database.脑肽：血脑屏障肽数据库。
建立并验证一种 LC-MS/MS 方法，用于同时测定人血浆中的基于短肽的药物。
Molecules. 2022 Nov 14;27(22):7831. doi: 10.3390/molecules27227831.
4
A comparative study on properties of fish meat hydrolysates produced by an enzymatic process at high pressure.高压酶法制备鱼肉水解产物特性的比较研究
Food Sci Biotechnol. 2019 Aug 12;29(1):75-83. doi: 10.1007/s10068-019-00648-y. eCollection 2020 Jan.
5
Derringer desirability and kinetic plot LC-column comparison approach for MS-compatible lipopeptide analysis.用于与质谱兼容的脂肽分析的德林格合意性和动力学图液相色谱柱比较方法。
J Pharm Anal. 2014 Jun;4(3):173-182. doi: 10.1016/j.jpha.2013.09.001. Epub 2013 Sep 18.
6
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J Pharm Anal. 2013 Oct;3(5):330-334. doi: 10.1016/j.jpha.2013.02.002. Epub 2013 Feb 17.
7
Chemical-functional diversity in cell-penetrating peptides.细胞穿透肽的化学功能多样性。
PLoS One. 2013 Aug 9;8(8):e71752. doi: 10.1371/journal.pone.0071752. eCollection 2013.
Brain Struct Funct. 2012 Jul;217(3):687-718. doi: 10.1007/s00429-011-0375-0. Epub 2011 Dec 29.
4
Evaluation of columns packed with shell particles with compounds of pharmaceutical interest.评价装填有药物化合物的壳颗粒柱。
J Chromatogr A. 2012 Mar 9;1228:221-31. doi: 10.1016/j.chroma.2011.09.013. Epub 2011 Sep 12.
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J Chromatogr A. 2011 Dec 9;1218(49):8903-14. doi: 10.1016/j.chroma.2011.07.051. Epub 2011 Jul 22.
8
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J Chromatogr A. 2011 Apr 15;1218(15):1995-2006. doi: 10.1016/j.chroma.2010.10.095. Epub 2010 Oct 30.
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J Pharm Biomed Anal. 2011 Feb 20;54(3):482-90. doi: 10.1016/j.jpba.2010.09.021. Epub 2010 Sep 19.
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