Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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
P23443

UPID:
KS6B1_HUMAN

ALTERNATIVE NAMES:
70 kDa ribosomal protein S6 kinase 1; Ribosomal protein S6 kinase I; Serine/threonine-protein kinase 14A; p70 ribosomal S6 kinase alpha

ALTERNATIVE UPACC:
P23443; B2R779; B4DLT4; B4DTG1; E7ESB8; F6UYM1; Q7Z721

BACKGROUND:
The serine/threonine-protein kinase 14A, a pivotal enzyme in the mTOR signaling pathway, orchestrates cell survival, proliferation, and growth by modulating protein synthesis. It achieves this through the phosphorylation of various substrates, including EIF4B and RPS6, and plays a role in the negative feedback regulation of mTORC2. Its involvement in nutrient sensing and response underscores its importance in cellular metabolism and growth control.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Serine/threonine-protein kinase 14A unveils promising avenues for the development of novel therapeutic interventions.

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