An Open-Source Framework for Mass Calculation of Antibody-Based Therapeutic Molecules

Area of Science:

• Biopharmaceutical analysis
• Computational chemistry
• Mass spectrometry

Background:

• Mass spectrometry (MS) is crucial for verifying the identity and structural integrity of biotherapeutics.
• Existing computational tools for mass calculation may not be suitable for complex biotherapeutic entities or have access limitations.
• Proprietary data security concerns restrict the use of web-based tools in biopharmaceutical development.

Purpose of the Study:

• To develop a user-friendly, open-source computational tool for calculating the mass and elemental composition of therapeutic glycoproteins.
• To provide a reliable alternative to existing mass calculation tools, addressing limitations in applicability and data security.
• To support the accurate characterization of biotherapeutics throughout development stages.

Main Methods:

• Developed a modular, Python-based mass calculation routine.
• Implemented algorithms for determining average or monoisotopic masses and elemental compositions.
• Created an open-source standalone desktop application with a graphical user interface (GUI), named mAbScale.

Main Results:

• mAbScale enables easy determination of masses and elemental compositions for monoclonal antibodies (mAb), bispecific antibodies (bsAb), and antibody-drug conjugates (ADC).
• The tool is designed for use in environments with strict data security requirements, as it operates locally.
• The modular framework is extensible to other biotherapeutic modalities like vaccines and fusion proteins.

Conclusions:

• mAbScale provides an accessible and secure solution for biotherapeutic mass verification.
• The open-source nature and GUI enhance usability for researchers in biopharmaceutical development.
• This tool facilitates accurate identity confirmation, crucial for regulatory compliance and drug quality.