Focused On-demand Library for Serine/threonine-protein kinase Sgk1

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
O00141

UPID:
SGK1_HUMAN

ALTERNATIVE NAMES:
Serum/glucocorticoid-regulated kinase 1

ALTERNATIVE UPACC:
O00141; B7UUP7; B7UUP8; B7UUP9; B7Z5B2; E1P583; Q5TCN2; Q5TCN3; Q5TCN4; Q5VY65; Q9UN56

BACKGROUND:
The Serine/threonine-protein kinase Sgk1, with its alternative name Serum/glucocorticoid-regulated kinase 1, is integral to the regulation of ion channels, enzymes, and transcription factors. It modulates neuronal excitability, cell proliferation, and apoptosis, contributing significantly to the cellular stress response. Sgk1 up-regulates various Na(+), K(+), and Ca(2+) channels, influencing renal function, salt appetite, and nutrient transport. It also plays a role in phosphorylating and activating several key proteins involved in cellular processes.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Serine/threonine-protein kinase Sgk1 unveils potential pathways for therapeutic intervention. Its broad regulatory impact on cellular enzymes, ion channels, and transcription factors makes it a promising target for developing treatments for diseases linked to these processes.

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