Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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

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
Q14435

UPID:
GALT3_HUMAN

ALTERNATIVE NAMES:
Polypeptide GalNAc transferase 3; Protein-UDP acetylgalactosaminyltransferase 3; UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase 3

ALTERNATIVE UPACC:
Q14435; Q53TG9; Q7Z476

BACKGROUND:
Polypeptide N-acetylgalactosaminyltransferase 3, a key enzyme in the initial reaction of O-linked oligosaccharide biosynthesis, affects the glycosylation of proteins such as fibronectin, FGF23, and various mucins. This enzyme's activity is essential for the structural and functional integrity of glycoproteins, impacting cell adhesion, signaling, and immune response.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in glycosylation and the pathogenesis of Tumoral calcinosis, hyperphosphatemic, familial, 1, Polypeptide N-acetylgalactosaminyltransferase 3 represents a promising target for therapeutic intervention. Exploring its functions further could lead to novel treatments for diseases associated with abnormal glycosylation patterns.

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