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Biochemical and Structural Studies of Protein Tyrosine Phosphatase PTP‐PEST (PTPN12) in Search of Small Molecule Inhibitors

Chemical Biology and Drug Design

The invitro biochemical assays validated that J1-65 inhibits PTP-PEST activity competitively and the inhibitor binding stabilizes the protein-ligand complex. PTP-PEST is considered an important drug target owing to its involvement in cancer progression and myocardial injury.

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Assembling data sets for training ML bioactivity models

Molecular Design

However, the term 'QSAR' does appears to be less used these days, possibly reflecting the limited impact that QSAR approaches have made on real world drug discovery, and it's also much easier to persuade people that you're doing artificial intelligence (AI) if you describe your QSAR models as ML models.

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High Throughput Screening (HTS)

Sygnature Discovery

Employing a comprehensive strategy for hit identification, we use the most effective methods to accurately pinpoint hit series that have the highest potential for evolving into compounds with drug-like properties. These include quality robust assays, reliable automation, secure data, and the quality of the libraries.

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Biochemical assays and deep cyclic inhibition in cancer treatment

Drug Target Review

Molecular-level biochemical assays like transcriptomics, genomics and proteomics have emerged as valuable tools for identifying potential targets in cancer treatment through deep cyclic inhibition (DCI). This platform can help identify and optimise pharmacologic properties of new drugs.

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Identification of a cell-active chikungunya virus nsP2 protease inhibitor using a covalent fragment-based screening approach

Covalent Modifiers

CHIKV nonstructural protein 2 (nsP2), which contains a cysteine protease domain, is essential for viral replication, making it an attractive target for a drug discovery campaign. Here, we optimized a CHIKV nsP2 protease (nsP2pro) biochemical assay for the screening of a 6,120-compound cysteine-directed covalent fragment library.

Virus 162
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Positive Impact of Dragonfly™ Discovery in Biochemical Assay

Zobio

Biochemical assays are commonly used to assess how organic compounds impact the activity of a protein of interest (POI). Het bericht Positive Impact of Dragonfly™ Discovery in Biochemical Assay verscheen eerst op ZoBio - Drug Discovery Technology.

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Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR? Protein–Protein Interaction as a Molecular Glue Drug Discovery Approach

Covalent Modifiers

2c12781 Molecules that stabilize protein–protein interactions (PPIs) are invaluable as tool compounds for biophysics and (structural) biology, and as starting points for molecular glue drug discovery. Cossar, and Luc Brunsveld Journal of the American Chemical Society 2023 DOI: 10.1021/jacs.2c12781