Related ArticlesChemometric Methods to Quantify 1D and 2D NMR Spectral Differences Among Similar Protein Therapeutics.
AAPS PharmSciTech. 2017 Nov 06;:
Authors: Chen K, Park J, Li F, Patil SM, Keire DA
Abstract
NMR spectroscopy is an emerging analytical tool for measuring complex drug product qualities, e.g., protein higher order structure (HOS) or heparin chemical composition. Most drug NMR spectra have been visually analyzed; however, NMR spectra are inherently quantitative and multivariate and thus suitable for chemometric analysis. Therefore, quantitative measurements derived from chemometric comparisons between spectra could be a key step in establishing acceptance criteria for a new generic drug or a new batch after manufacture change. To measure the capability of chemometric methods to differentiate comparator NMR spectra, we calculated inter-spectra difference metrics on 1D/2D spectra of two insulin drugs, Humulin R® and Novolin R®, from different manufacturers. Both insulin drugs have an identical drug substance but differ in formulation. Chemometric methods (i.e., principal component analysis (PCA), 3-way Tucker3 or graph invariant (GI)) were performed to calculate Mahalanobis distance (D M) between the two brands (inter-brand) and distance ratio (D R) among the different lots (intra-brand). The PCA on 1D inter-brand spectral comparison yielded a D M value of 213. In comparing 2D spectra, the Tucker3 analysis yielded the highest differentiability value (D M*=*305) in the comparisons made followed by PCA (D M*=*255) then the GI method (D M*=*40). In conclusion, drug quality comparisons among different lots might benefit from PCA on 1D spectra for rapidly comparing many samples, while higher resolution but more time-consuming 2D-NMR-data-based comparisons using Tucker3 analysis or PCA provide a greater level of assurance for drug structural similarity evaluation between drug brands.
PMID: 29110294 [PubMed - as supplied by publisher]
[NMR paper] Simple NMR methods for evaluating higher order structures of monoclonal antibody therapeutics with quinary structure.
Simple NMR methods for evaluating higher order structures of monoclonal antibody therapeutics with quinary structure.
Related Articles Simple NMR methods for evaluating higher order structures of monoclonal antibody therapeutics with quinary structure.
J Pharm Biomed Anal. 2016 Jun 7;128:398-407
Authors: Chen K, Long DS, Lute SC, Levy MJ, Brorson KA, Keire DA
Abstract
Monoclonal antibody (mAb) drugs constitute the largest class of protein therapeutics currently on the market. Correctly folded protein higher order structure...
[NMR paper] On the Analytical Superiority of 1D NMR for Fingerprinting the Higher Order Structure of Protein Therapeutics Compared to Multidimensional NMR Methods.
On the Analytical Superiority of 1D NMR for Fingerprinting the Higher Order Structure of Protein Therapeutics Compared to Multidimensional NMR Methods.
Related Articles On the Analytical Superiority of 1D NMR for Fingerprinting the Higher Order Structure of Protein Therapeutics Compared to Multidimensional NMR Methods.
Anal Chem. 2015 Apr 30;
Authors: Poppe L, Jordan JB, Rogers G, Schnier PD
Abstract
An important aspect in the analytical characterization of protein therapeutics is the comprehensive characterization of higher...
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05-02-2015 09:41 PM
[NMR paper] Recent advances in protein NMR spectroscopy and their implications in protein therapeutics research.
Recent advances in protein NMR spectroscopy and their implications in protein therapeutics research.
Related Articles Recent advances in protein NMR spectroscopy and their implications in protein therapeutics research.
Anal Bioanal Chem. 2013 Dec 6;
Authors: Wang G, Zhang ZT, Jiang B, Zhang X, Li C, Liu M
Abstract
Nuclear magnetic resonance (NMR) spectroscopy and X-ray crystallography are the two main methods for protein three-dimensional structure determination at atomic resolution. According to the protein structures deposited in the...
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12-07-2013 01:00 PM
[Question from NMRWiki Q&A forum] Macro available that can determine the standard deviation of the spectral noise for a many similar 2D spectra
Macro available that can determine the standard deviation of the spectral noise for a many similar 2D spectra
Hi !
I need a macro that can determine the standard deviation of the spectral noise for a manysimilar 2D spectra.
I have 75 spectra obtained for an R1-rho experiment.Each spectra has an alteration for either of the varian parameter:deltadof2, dpwr2slock or ncyc.
I use NMRPipe seriesTab to acquire the peak height for each spectrum.I use relax (http://nmr-relax.com) to perform the analysis.
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09-16-2013 05:07 PM
[NMR paper] Inverse methods in two-dimensional NMR spectral analysis.
Inverse methods in two-dimensional NMR spectral analysis.
Related Articles Inverse methods in two-dimensional NMR spectral analysis.
J Magn Reson. 2003 May;162(1):141-57
Authors: van Beek JD, Meier BH, Schäfer H
Solid-state NMR is a valuable technique for the study of disordered materials. Analysis of such spectra usually involves solution of so-called ill-posed inverse problems. Here we present a strategy for the analysis of two-parameter two-dimensional NMR problems and test it on 2D DECODER and DOQSY experiments. Using Monte Carlo tests,...
Chemometric Methods to Quantify 1D and 2D NMR Spectral Differences Among Similar Protein Therapeutics.
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