AIMC Topic: Protein Aggregates

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Application of one-class classification using deep learning technique improves the classification of subvisible particles.

Journal of pharmaceutical sciences
Capturing subvisible particles using flow imaging microscopy is useful for evaluating protein aggregates that may induce immunogenicity. Automated labeling is desirable to distinguish harmless components such as silicone oil (SO) from subvisible part...

Particle formation in response to different protein formulations and containers: Insights from machine learning analysis of particle images.

Journal of pharmaceutical sciences
Subvisible particle count is a biotherapeutics stability indicator widely used by pharmaceutical industries. A variety of stresses that biotherapeutics are exposed to during development can impact particle morphology. By classifying particle morpholo...

Exploring Tau Fibril-Disaggregating and Antioxidating Molecules Binding to Membrane-Bound Amyloid Oligomers Using Machine Learning-Enhanced Docking and Molecular Dynamics.

Molecules (Basel, Switzerland)
Intracellular tau fibrils are sources of neurotoxicity and oxidative stress in Alzheimer's. Current drug discovery efforts have focused on molecules with tau fibril disaggregation and antioxidation functions. However, recent studies suggest that memb...

Discovery of potent inhibitors of α-synuclein aggregation using structure-based iterative learning.

Nature chemical biology
Machine learning methods hold the promise to reduce the costs and the failure rates of conventional drug discovery pipelines. This issue is especially pressing for neurodegenerative diseases, where the development of disease-modifying drugs has been ...

Label-free identification of protein aggregates using deep learning.

Nature communications
Protein misfolding and aggregation play central roles in the pathogenesis of various neurodegenerative diseases (NDDs), including Huntington's disease, which is caused by a genetic mutation in exon 1 of the Huntingtin protein (Httex1). The fluorescen...

Metastable alpha-rich and beta-rich conformations of small Aβ42 peptide oligomers.

Proteins
Probing the structures of amyloid-β (Aβ) peptides in the early steps of aggregation is extremely difficult experimentally and computationally. Yet, this knowledge is extremely important as small oligomers are the most toxic species. Experiments and s...

Artificial intelligence assisted identification of potential tau aggregation inhibitors: ligand- and structure-based virtual screening, in silico ADME, and molecular dynamics study.

Molecular diversity
Alzheimer's disease (AD) is a severe, growing, multifactorial disorder affecting millions of people worldwide characterized by cognitive decline and neurodegeneration. The accumulation of tau protein into paired helical filaments is one of the major ...

Testing Precision Limits of Neural Network-Based Quality Control Metrics in High-Throughput Digital Microscopy.

Pharmaceutical research
OBJECTIVE: Digital microscopy is used to monitor particulates such as protein aggregates within biopharmaceutical products. The images that result encode a wealth of information that is underutilized in pharmaceutical process monitoring. For example,...

New Frontiers for Machine Learning in Protein Science.

Journal of molecular biology
Protein function is fundamentally reliant on inter-molecular interactions that underpin the ability of proteins to form complexes driving biological processes in living cells. Increasingly, such interactions are recognised as being formed between pro...

An apta-aggregation based machine learning assay for rapid quantification of lysozyme through texture parameters.

PloS one
A novel assay technique that involves quantification of lysozyme (Lys) through machine learning is put forward here. This article reports the tendency of the well- documented Ellington group anti-Lys aptamer, to produce aggregates when exposed to Lys...