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.


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 high-tech, dedicated method is applied to construct 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.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
O15270

UPID:
SPTC2_HUMAN

ALTERNATIVE NAMES:
Long chain base biosynthesis protein 2; Long chain base biosynthesis protein 2a; Serine-palmitoyl-CoA transferase 2

ALTERNATIVE UPACC:
O15270; Q16685

BACKGROUND:
The enzyme Serine palmitoyltransferase 2, known alternatively as Long chain base biosynthesis protein 2, is crucial in sphingolipid biosynthesis, impacting adipogenesis. Its activity varies based on the composition of its complex, with a notable distinction between its preference for C16-CoA and C18-CoA substrates.

THERAPEUTIC SIGNIFICANCE:
Mutations in SPTLC2 are implicated in the development of Neuropathy, hereditary sensory and autonomic, 1C, a disorder marked by sensory loss and motor dysfunction. These genetic variations shift SPT's substrate specificity, leading to harmful 1-deoxysphingolipids production. Targeting SPTLC2's pathway offers a promising avenue for therapeutic intervention in HSAN1C.

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