A multiscale modeling method for therapeutic antibodies in ion exchange chromatography. - OpacWWW

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Tytuł:: A multiscale modeling method for therapeutic antibodies in ion exchange chromatography.
Autorzy:: Saleh D; Institute of Process Engineering in Life Sciences, Section IV: Biomolecular Separation Engineering, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany.; Early Stage Bioprocess Development, Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach an der Riss, Germany.
Hess R; Institute of Process Engineering in Life Sciences, Section IV: Biomolecular Separation Engineering, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany.; Early Stage Bioprocess Development, Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach an der Riss, Germany.
Ahlers-Hesse M; Late Stage DSP Development, Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach an der Riss, Germany.
Rischawy F; Institute of Process Engineering in Life Sciences, Section IV: Biomolecular Separation Engineering, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany.; Late Stage DSP Development, Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach an der Riss, Germany.
Wang G; Late Stage DSP Development, Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach an der Riss, Germany.
Grosch JH; Early Stage Bioprocess Development, Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach an der Riss, Germany.
Schwab T; Early Stage Bioprocess Development, Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach an der Riss, Germany.
Kluters S; Late Stage DSP Development, Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach an der Riss, Germany.
Studts J; Late Stage DSP Development, Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach an der Riss, Germany.
Hubbuch J; Institute of Process Engineering in Life Sciences, Section IV: Biomolecular Separation Engineering, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany.
Źródło:: Biotechnology and bioengineering [Biotechnol Bioeng] 2023 Jan; Vol. 120 (1), pp. 125-138. Date of Electronic Publication: 2022 Oct 24.
Typ publikacji:: Journal Article; Research Support, Non-U.S. Gov't
Język:: English
Imprint Name(s):: Publication: <2005->: Hoboken, NJ : Wiley
Original Publication: New York, Wiley.
MeSH Terms:: Immunoglobulin G*/chemistry
Antibodies, Monoclonal*/chemistry
Chromatography, Ion Exchange/methods ; Thermodynamics ; Adsorption
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Contributed Indexing:: Keywords: biopharmaceutical downstream processing; ion exchange chromatography; mechanistic chromatography modeling; multiscale modeling; quantitative structure-property relationships
Substance Nomenclature:: 0 (Immunoglobulin G)
0 (Antibodies, Monoclonal)
Entry Date(s):: Date Created: 20221013 Date Completed: 20221207 Latest Revision: 20230208
Update Code:: 20240104
DOI:: 10.1002/bit.28258
PMID:: 36226467
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The development of biopharmaceutical downstream processes relies on exhaustive experimental studies. The root cause is the poorly understood relationship between the protein structure of monoclonal antibodies (mAbs) and their macroscopic process behavior. Especially the development of preparative chromatography processes is challenged by the increasing structural complexity of novel antibody formats and accelerated development timelines. This study introduces a multiscale in silico model consisting of homology modeling, quantitative structure-property relationships (QSPR), and mechanistic chromatography modeling leading from the amino acid sequence of a mAb to the digital representation of its cation exchange chromatography (CEX) process. The model leverages the mAbs' structural characteristics and experimental data of a diverse set of 21 therapeutic antibodies to predict elution profiles of two mAbs that were removed from the training data set. QSPR modeling identified mAb-specific protein descriptors relevant for the prediction of the thermodynamic equilibrium and the stoichiometric coefficient of the adsorption reaction. The consideration of two discrete conformational states of IgG4 mAbs enabled prediction of split-peak elution profiles. Starting from the sequence, the presented multiscale model allows in silico development of chromatography processes before protein material is available for experimental studies.
(© 2022 The Authors. Biotechnology and Bioengineering published by Wiley Periodicals LLC.)

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A multiscale modeling method for therapeutic antibodies in ion exchange chromatography.