Focused On-demand Library for Transient receptor potential cation channel subfamily M member 2

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


Our top-notch dedicated system is used to design specialised 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
O94759

UPID:
TRPM2_HUMAN

ALTERNATIVE NAMES:
Estrogen-responsive element-associated gene 1 protein; Long transient receptor potential channel 2; Transient receptor potential channel 7; Transient receptor potential melastatin 2

ALTERNATIVE UPACC:
O94759; D3DSL6; Q5KTC2; Q6J3P5; Q96KN6; Q96Q93

BACKGROUND:
The Transient receptor potential cation channel subfamily M member 2, known as TRPM2, mediates critical physiological functions. It regulates Na(+) and Ca(2+) influx, influencing cytoplasmic Ca(2+) levels, and is activated by various stimuli including ADP-ribose and oxidative stress. TRPM2 contributes to processes such as insulin secretion, immune response, and cellular stress response, showcasing its broad role in cellular signaling and homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Transient receptor potential cation channel subfamily M member 2 offers a promising avenue for developing novel therapeutic approaches. Given its central role in calcium signaling and response to oxidative stress, targeting TRPM2 could provide new strategies for managing conditions associated with these processes.

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