Advancing therapeutic protein discovery and development through comprehensive computational and biophysical characterization

L Gentiluomo, HL Svilenov, D Augustijn… - Molecular …, 2019 - ACS Publications
Therapeutic protein candidates should exhibit favorable properties that render them suitable
to become drugs. Nevertheless, there are no well-established guidelines for the efficient …

Simultaneous Purification of Human Interferon Alpha-2b and Serum Albumin Using Bioprivileged Fluorinated Ionic Liquid-Based Aqueous Biphasic Systems

SF Carvalho, AB Pereiro, JMM Araújo - International Journal of Molecular …, 2024 - mdpi.com
Interferon alpha-2b (IFN-α 2b) is an essential cytokine widely used in the treatment of
chronic hepatitis C and hairy cell leukemia, and serum albumin is the most abundant plasma …

Potential enhancement of post-stroke angiogenic response by targeting the oligomeric aggregation of p53 protein

HH Tam, D Zhu, SSK Ho, HW Vong… - Frontiers in Cellular …, 2023 - frontiersin.org
Tumor suppressor gene p53 and its aggregate have been found to be involved in many
angiogenesis-related pathways. We explored the possible p53 aggregation formation …

Towards Enhanced Tunability of Aqueous Biphasic Systems: Furthering the Grasp of Fluorinated Ionic Liquids in the Purification of Proteins

SF Carvalho, MH Custódio, AB Pereiro… - International Journal of …, 2024 - mdpi.com
This work unfolds functionalized ABSs composed of FILs ([C2C1Im][C4F9SO3] and [N 1112
(OH)][C4F9SO3]), mere fluoro-containing ILs ([C2C1Im][CF3SO3] and [C4C1Im][CF3SO3]) …

Binding of excipients is a poor predictor for aggregation kinetics of biopharmaceutical proteins

M Zalar, HL Svilenov, AP Golovanov - European Journal of Pharmaceutics …, 2020 - Elsevier
One of the major challenges in formulation development of biopharmaceuticals is improving
long-term storage stability, which is often achieved by addition of excipients to the final …

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 …

Molecular Dynamics Simulations Reveal How Competing Protein–Surface Interactions for Glycine, Citrate, and Water Modulate Stability in Antibody Fragment …

A Pandya, C Zhang, TS Barata, S Brocchini… - Molecular …, 2024 - ACS Publications
The design of stable formulations remains a major challenge for protein therapeutics,
particularly the need to minimize aggregation. Experimental formulation screens are …

Enhancing protein aggregation prediction: a unified analysis leveraging graph convolutional networks and active learning

J Sun, JH Song, J Kim, S Kang, E Park, S Seo, K Min - RSC advances, 2024 - pubs.rsc.org
Protein aggregation (PA) is a critical phenomenon associated with Alzheimer's and
Parkinson's disease. Recent studies have suggested that factors like aggregation-prone …

[HTML][HTML] Disclosing the Potential of Fluorinated Ionic Liquids as Interferon-Alpha 2b Delivery Systems

ML Ferreira, NSM Vieira, ALS Oliveira, JMM Araújo… - Nanomaterials, 2022 - mdpi.com
Interferon-alpha 2b (IFN-α 2b) is a therapeutic protein used for the treatment of cancer, viral
infections, and auto-immune diseases. Its application is hindered by a low bioavailability …

Study of the interaction between a novel, protein-stabilizing dipeptide and Interferon-alpha-2a by construction of a Markov state model from molecular dynamics …

A Tosstorff, GHJ Peters, G Winter - European Journal of Pharmaceutics and …, 2020 - Elsevier
We recently reported the discovery of a novel protein stabilizing dipeptide, glycyl-D-
asparagine, through a structure-based approach. As the starting hypothesis leading to the …