Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Q9UK59

UPID:
DBR1_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q9UK59; Q96GH0; Q9NXQ6

BACKGROUND:
Lariat debranching enzyme, essential for RNA processing, cleaves the 2'-5' phosphodiester linkage at excised lariat intron RNA branch points. This enzymatic activity is crucial for converting lariat introns into linear molecules, promoting their degradation and ensuring efficient ribonucleotide turnover. Its function extends to pre-mRNA processing and may influence retrovirus replication, underscoring its importance in cellular biology.

THERAPEUTIC SIGNIFICANCE:
The enzyme's link to susceptibility to viral encephalitis, triggered by pathogens like herpes simplex virus-1 and influenza B virus, underscores its therapeutic potential. Exploring the Lariat debranching enzyme's function could lead to innovative treatments for viral encephalitis, highlighting the enzyme's significance in drug discovery.

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