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MetabolomicsMetabolostasis failure thresholds are linked with network topology, metabolite solubility, and translational control

Cells maintain metabolite homeostasis (metabolostasis) by buffering fluctuations in metabolite levels, yet the limits of this buffering and the mechanisms underlying metabolic toxicity remain poorly understood. To study this, we systematically overfed metabolites in Saccharomyces cerevisiae and q...

2026-09-29 | MTBLS12080 | MetaboLights
ModelsSun2019 - Predictive models of aqueous solubility of organic compounds.
Kinetic aqueous solubility (μg/mL) was experimentally determined using the same SOP in over 200 NCATS drug discovery projects. A final dataset of 11780 non-redundant molecules and their associated solubility was used to train a SVM classifier. Model Type: Predictive machine learning model. Model Re...
2024-04-22 | MODEL2404220003 | BioModels
Machine Learning Model Ersilia 
ModelsFrancoeur2021 - SolTranNet–A Machine Learning Tool for Fast Aqueous Solubility Prediction
Fast aqueous solubility prediction based on the Molecule Attention Transformer (MAT). The authors used AqSolDB to fine-tune the MAT network to solubility prediction, achieving competitive scores in the Second Challenge to Predict Aqueous Solubility (SC2). Model Type: Predictive machine learning mod...
2024-06-03 | MODEL2406030002 | BioModels
Machine Learning Model FAIR-AIML Ersilia 
ProteomicsProteome solubility changes under different proteostasis stresses
The accumulation of aberrant protein aggregates in neurodegenerative diseases is associated with a widespread failure of the protein homeostasis system. To investigate whether there is a subproteome that consistently aggregates under stress and define the broader determinants for protein aggregation...
ORGANISM(S): Mus musculus (Mouse) 
2020-01-29 | PXD014420 | Pride
Proteome solubility Proteomics Stress response Proteostasis 
ProteomicsIon-based Proteome Integrated Solubility Alteration Assay for System-wide Profiling of Protein-Molecule Interactions - full curve data
Unbiased drug target engagement deconvolution and mechanism of action elucidation are major challenges in drug development. Modification-free target engagement methods, such as thermal proteome profiling, have gained increasing popularity over the last several years. However, these methods have limi...
ORGANISM(S): Homo sapiens (Human) 
2022-06-09 | PXD033081 | Pride
Proteomics Mechanism of action Drug target deconvolution Thermal protein profiling Cancer 
ProteomicsRNA-dependent solubility of Escherichia coli proteome: Structural hub, disorder, and chaperone network
Protein aggregation is a complex phenomenon involving aberrant folding and proteostasis that leads to various proteopathies. Despite extensive efforts, the maintenance of protein solubility against aggregation remains ill-defined, especially in complex cellular environments. In this study, we show t...
ORGANISM(S): Escherichia coli 
2024-05-24 | PXD040618 | Pride
Rna Chaperone Aggregation Protein folding Proteomics Lc-ms/ms 
ProteomicsExploring the Anti-Cancer mechanism of Cardiac Glycosides using proteome integral solubility alteration approach
Cancer remains a significant global health challenge, necessitating the development of innovative and cost-effective treatments. Drug repurposing, particularly of cardiac glycosides (CGs), offers a promising strategy to expedite the discovery of anti-tumor drugs. This study employs proteome integral...
ORGANISM(S): Homo Sapiens 
PXD052740 |
ProteomicsSupercharging-Enhanced nDIA-MS Enables Global Profiling of Drug-Induced Proteome Solubility Shifts (solubility proteomics)
Mass spectrometry (MS)-based proteomics has become indispensable for high-throughput quantitation of protein expression. However, protein function is regulated by a variety of factors beyond abundance alone. Here, we optimized narrow-window, data-independent ac-quisition (nDIA) MS with 3% DMSO as a ...
ORGANISM(S): Homo sapiens (Human) 
2026-01-12 | PXD064185 | Pride
Ml-792 Proteome Solubility shift Mg132 
GenomicsNot1 and Not4 inversely determine mRNA solubility that sets the dynamics of co-translational events
Not1 and Not4 inversely determine mRNA solubility that sets the dynamics of co-translational events
PRJNA798390 | ENA
ProteomicsSolubility based mechanistic profiling of combinatorial drug therapy
Acute myeloid leukemia (AML) poses a major clinical challenge due to its genetic diversity, relapse rates, and chemotherapy toxicity. While rational drug combinations improve efficacy, their mechanisms remain poorly understood. We introduce CoPISA (Proteome Integral Solubility/Stability Alteration A...
ORGANISM(S): Homo sapiens (Human) 
2026-02-12 | PXD066812 | Pride
Combination therapy Acute myeloid leukaemia Proteome integral solubility alteration assay for combinations Copisa 
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