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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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 utilise our cutting-edge, exclusive workflow to develop focused 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.


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
Q76I76

UPID:
SSH2_HUMAN

ALTERNATIVE NAMES:
SSH-like protein 2

ALTERNATIVE UPACC:
Q76I76; Q8TDB5; Q8WYL1; Q8WYL2; Q96F40; Q96H36; Q9C0D8

BACKGROUND:
The Protein phosphatase Slingshot homolog 2, or SSH-like protein 2, is a key regulator of actin filament dynamics. By dephosphorylating cofilin, it activates this actin-binding factor, leading to the disassembly of actin filaments. This activity is crucial for processes like spermatogenesis and acrosome biogenesis, indicating its significant role in cellular structure and function.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Protein phosphatase Slingshot homolog 2 offers a promising pathway to developing new therapeutic approaches. Given its critical role in actin filament dynamics and cellular processes such as spermatogenesis, targeting this protein could lead to innovative treatments for diseases related to these functions.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.