Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
P61647

UPID:
SIA8F_HUMAN

ALTERNATIVE NAMES:
Sialyltransferase 8F; Sialyltransferase St8Sia VI

ALTERNATIVE UPACC:
P61647; B0YJ97; B9EH72; Q5VZH4

BACKGROUND:
The enzyme Alpha-2,8-sialyltransferase 8F, alternatively named Sialyltransferase St8Sia VI, specializes in the addition of sialic acid to O-glycans. This specificity is crucial for the formation of sialoglycans, which are essential for various biological functions, including cell-cell interaction and immune response modulation.

THERAPEUTIC SIGNIFICANCE:
Exploring the enzymatic activity of Alpha-2,8-sialyltransferase 8F offers a promising avenue for drug discovery. By elucidating its role in the biosynthesis of sialoglycans, researchers can identify novel therapeutic targets for diseases where cell communication is disrupted.

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