Focused On-demand Library for Schlafen family member 13

Details

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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Q68D06

UPID:
SLN13_HUMAN

ALTERNATIVE NAMES:
Schlafen-13

ALTERNATIVE UPACC:
Q68D06; E1P645; Q658M1; Q6ZS51; Q96A81

BACKGROUND:
The protein Schlafen family member 13, alternatively named Schlafen-13, encoded by the gene with UniProt accession Q68D06, plays a pivotal role in cellular RNA metabolism. It acts as an endoribonuclease, targeting tRNAs and rRNAs for cleavage, specifically 11 nucleotides from the 3'-terminus of the acceptor stem, but not affecting tRNA(Sec). This specificity underlines its critical function in RNA processing. Moreover, Schlafen-13 has been identified as a key player in the inhibition of HIV-1 replication, a property directly linked to its enzymatic activity.

THERAPEUTIC SIGNIFICANCE:
The exploration of Schlafen family member 13's function offers promising avenues for therapeutic intervention. Given its direct involvement in inhibiting HIV-1 replication through its endoribonuclease activity, targeting Schlafen-13 could lead to innovative treatments for viral infections.

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