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 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.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
O00506

UPID:
STK25_HUMAN

ALTERNATIVE NAMES:
Ste20-like kinase; Sterile 20/oxidant stress-response kinase 1

ALTERNATIVE UPACC:
O00506; A8K6Z3; A8K7D2; B7Z9K1; Q15522; Q5BJF1

BACKGROUND:
The enzyme Serine/threonine-protein kinase 25, with alternative names Ste20-like kinase and Sterile 20/oxidant stress-response kinase 1, plays a significant role in the cellular defense mechanism against environmental stressors. It operates by activating under oxidant stress conditions, focusing its action on the Golgi apparatus to influence protein transport events, cell adhesion, and the formation of polarity complexes essential for the migration of cells.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Serine/threonine-protein kinase 25 offers a promising pathway to developing novel therapeutic approaches.

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