Mnova BioHOS

Mnova BioHOS is an advanced software plugin from Mestrelab designed for the NMR-based analysis and quality assessment of biologic drugs, with a particular focus on monoclonal antibodies and other medium-to-high molecular weight biotherapeutics. It enables the determination of a biologic drug's higher order structure (HOS) by comparing 2D NMR spectra of reference samples against test samples through fingerprinting and spectral similarity determination.

The tool is aimed at researchers, organic chemists, and medicinal chemists working in academic, government, and industrial settings who require rigorous, automated, and statistically robust methods for biologics quality assurance using NMR data.

Core Capabilities and Benefits

• HOS evaluation of medium to high molecular weight species, including monoclonal antibodies
• Quality assessment of biologic drugs using 2D NMR spectral data
• Includes all Advanced Chemometrics capabilities: PCA, PLS, and SIMCA
• Supports 1D Profile analysis, CCSD comparison, and ECHOS analysis
• Signal processing features including compressed sensing, denoising, data alignment, and 2D cross-peak analysis
• Matrix evaluations of all spectra to compare intra- and inter-class samples
• Full automation capabilities allowing the saving and reuse of analysis methods

ECHOS Analysis

• Pairwise intensity comparisons of points with the same coordinates in reference and test spectra
• Computation of a regression line for the scatter plot of points
• Manual and automatic noise cancellation
• Adjustable threshold for residuals

CCSD Comparison

• Match selected peaks in reference and test spectra to calculate CCSD values (average and per peak pair)
• Rank test spectra by similarity to the reference
• Plot CCSD values and amplitude ratios per peak pair for quick visual inspection

PCA Analysis

• Data management tools including parameter adjustment, binning, filtering, normalization, and scaling
• Interactive PCA plots linked directly to spectra
• Plot templates covering Explained Variance, Influence, Scores, and Loadings
• Model building and validation workflows
• Ability to test new spectra against a reference PCA model

1D Profile Analysis

• Leverages 1D NMR spectra (typically 1D 1H) to detect and evaluate small spectral changes
• Quantifies small differences between samples
• Performs detailed statistical treatment across multiple spectra

MCR Tool for Peak Purity Assessment in LCMS Data

• Introduced with Mnova 15.1, based on the MCR-ALS algorithm
• Provides comprehensive tables and plots to streamline LCMS data analysis
• Enhances decision-making for peak purity assessment
• Available with the Advanced Chemometrics or BioHOS plugins; requires an MSChrom plugin license

What's New in Mnova BioHOS 3.0

• MCR Tool for Peak Purity Assessment in LCMS Data
• PLS Regression: analyze and predict dependent variables with graphical tools
• SIMCA Classification: supervised data classification method
• Enhanced PCA Analysis: Quantile Plots for 1D NMR, comparison tool, plot labels, improved interactivity, and additional distance options
• PROFILE Analysis: export fingerprint spectra and sync plot crosshairs
• CCSD Peaks: auto-detection of reference peaks
• Data Preparation: Probabilistic Quotient Normalization (PQN) with result visualization

Mnova BioHOS is available as a plugin for the Mnova platform and supports Windows, macOS, and multiple Linux distributions including RHEL 8/9/10, Ubuntu 22.04/24.04, Debian 13, and AppImage. A 45-day free trial is available. The software integrates with Mnova Core and the Advanced Chemometrics plugin, and its analytical approach is supported by peer-reviewed literature, including published work on 2D-NMR for HOS assessment of monoclonal antibody therapeutics.