Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


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.


We use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.


PARTNER
Receptor.AI
 
UPACC
Q9UQ13

UPID:
SHOC2_HUMAN

ALTERNATIVE NAMES:
Protein soc-2 homolog; Protein sur-8 homolog

ALTERNATIVE UPACC:
Q9UQ13; A8K9W8; B3KR23; O76063; Q5VZS8; Q5VZS9

BACKGROUND:
The Leucine-rich repeat protein SHOC-2, known alternatively as Protein soc-2 and Protein sur-8 homolog, is integral to the regulation of the MAPK signaling pathway. By acting as a regulatory subunit for protein phosphatase 1 (PP1c) and facilitating the dephosphorylation of RAF1 kinase's 'Ser-259' site, it enhances RAF1 activity, crucial for cell proliferation and differentiation signals.

THERAPEUTIC SIGNIFICANCE:
Implicated in the genetic condition Noonan syndrome-like disorder with loose anagen hair 1, Leucine-rich repeat protein SHOC-2's involvement suggests its potential as a target for therapeutic intervention. Exploring its function further could lead to innovative treatments for this and possibly other related genetic disorders.

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