How can we discover developable antibody-based biotherapeutics?

J Bauer, N Rajagopal, P Gupta, P Gupta… - Frontiers in Molecular …, 2023 - frontiersin.org
Antibody-based biotherapeutics have emerged as a successful class of pharmaceuticals
despite significant challenges and risks to their discovery and development. This review …

Approaches to expand the conventional toolbox for discovery and selection of antibodies with drug-like physicochemical properties

HL Svilenov, P Arosio, T Menzen, P Tessier… - MAbs, 2023 - Taylor & Francis
Antibody drugs should exhibit not only high-binding affinity for their target antigens but also
favorable physicochemical drug-like properties. Such drug-like biophysical properties are …

Structural modeling of antibody variable regions using deep learning—progress and perspectives on drug discovery

I Jaszczyszyn, W Bielska, T Gawlowski… - Frontiers in Molecular …, 2023 - frontiersin.org
AlphaFold2 has hallmarked a generational improvement in protein structure prediction. In
particular, advances in antibody structure prediction have provided a highly translatable …

[HTML][HTML] Impact of deep eutectic solvents on kinetics and folding stability of formate dehydrogenase

NF Gajardo-Parra, G Rodríguez, AF Arroyo-Avirama… - Processes, 2023 - mdpi.com
Specifically designed co-solvent mixtures are an efficient way to enhance the kinetics of
enzyme-catalyzed reactions without compromising enzyme stability; among them, several …

Predictive Model Building for Aggregation Kinetics Based on Molecular Dynamics Simulations of an Antibody Fragment

Y Wang, HD Williams, D Dikicioglu… - Molecular …, 2024 - ACS Publications
Computational methods including machine learning and molecular dynamics simulations
have strong potential to characterize, understand, and ultimately predict the properties of …

It is never too late for a cocktail-development and analytical characterization of fixed-dose antibody combinations

D Krieg, G Winter, HL Svilenov - Journal of Pharmaceutical Sciences, 2022 - Elsevier
Monoclonal antibodies (mAbs) have been immensely successful as biological drugs.
However, the treatment of some diseases requires combinations of antibodies that bind to …

Intrinsic Differential Scanning Fluorimetry for Protein Stability Assessment in Microwell Plates

M Cohrs, A Davy, M Van Ackere… - Molecular …, 2025 - ACS Publications
Intrinsic differential scanning fluorimetry (DSF) is essential for analyzing protein thermal
stability. Until now, intrinsic DSF was characterized by medium throughput and high …

[HTML][HTML] Analysis of Biologics Molecular Descriptors towards Predictive Modelling for Protein Drug Development Using Time-Gated Raman Spectroscopy

J Itkonen, L Ghemtio, D Pellegrino, PJ Jokela… - Pharmaceutics, 2022 - mdpi.com
Pharmaceutical proteins, compared to small molecular weight drugs, are relatively fragile
molecules, thus necessitating monitoring protein unfolding and aggregation during …

In Situ Monitoring of Protein Unfolding/Structural States under Cold High-Pressure Stress

DC Gomes, SCM Teixeira, JB Leão… - Molecular …, 2021 - ACS Publications
Biopharmaceutical formulations may be compromised by freezing, which has been
attributed to protein conformational changes at a low temperature, and adsorption to ice …

Molecular Dynamics Simulation of an Iron (III) Binding Site on the Fc Domain of IgG1 Relevant for Visible Light-Induced Protein Fragmentation

H Lou, Y Zhang, K Kuczera, MJ Hageman… - Molecular …, 2023 - ACS Publications
Molecular dynamics simulations were employed to investigate the interaction between Fe
(III) and an iron-binding site composed of THR259, ASP252, and GLU261 on the Fc domain …