Focused On-demand Library for Diacylglycerol kinase gamma

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
P49619

UPID:
DGKG_HUMAN

ALTERNATIVE NAMES:
Diglyceride kinase gamma

ALTERNATIVE UPACC:
P49619; B2RAH4; Q2M1H4; Q5FWG1

BACKGROUND:
Diacylglycerol kinase gamma functions as a key regulator in the conversion of diacylglycerol (DAG) to phosphatidic acid (PA), maintaining the dynamic balance between these two critical second messengers. This enzyme's activity is essential for various cellular signaling pathways, showing no specific preference for DAG's acyl compositions. Its expression is highly specific to the cerebellum, where it modulates DAG levels, thus indirectly affecting protein kinase C gamma's activity. This modulation is crucial for the dendritic development of Purkinje cells, cerebellar long-term depression, and ultimately, cerebellar motor coordination.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Diacylglycerol kinase gamma could open doors to potential therapeutic strategies.

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