Focused On-demand Library for Ribosomal protein S6 kinase alpha-3

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.


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


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P51812

UPID:
KS6A3_HUMAN

ALTERNATIVE NAMES:
90 kDa ribosomal protein S6 kinase 3; Insulin-stimulated protein kinase 1; MAP kinase-activated protein kinase 1b; Ribosomal S6 kinase 2; pp90RSK2

ALTERNATIVE UPACC:
P51812; B2R9V4; Q4VAP3; Q59H26; Q5JPK8; Q7Z3Z7

BACKGROUND:
The Ribosomal protein S6 kinase alpha-3, identified by its critical role in the ERK/MAPK pathway, influences various cellular mechanisms including mitogenic and stress-induced activations. It is crucial for phosphorylating several substrates that lead to cellular proliferation, differentiation, and survival, showcasing its versatility in cell signaling pathways.

THERAPEUTIC SIGNIFICANCE:
Given its association with Coffin-Lowry syndrome and Intellectual developmental disorder, X-linked 19, exploring Ribosomal protein S6 kinase alpha-3's function offers promising avenues for therapeutic intervention. Its pivotal role in disease mechanisms underscores the potential for developing targeted treatments.

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