Focused On-demand Library for Beta-1,4-glucuronyltransferase 1

Details

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 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.


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 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 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
O43505

UPID:
B4GA1_HUMAN

ALTERNATIVE NAMES:
I-beta-1,3-N-acetylglucosaminyltransferase; N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase; Poly-N-acetyllactosamine extension enzyme; UDP-GlcNAc:betaGal beta-1,3-N-acetylglucosaminyltransferase 1

ALTERNATIVE UPACC:
O43505; Q4TTN0

BACKGROUND:
The enzyme Beta-1,4-glucuronyltransferase 1 is integral to the biosynthesis of phosphorylated O-mannosyl glycan, a carbohydrate structure critical for alpha-dystroglycan's interaction with laminin G-like domain-containing proteins. This interaction is essential for muscle integrity and neuronal functions, highlighting the enzyme's importance in cellular communication and structural stability.

THERAPEUTIC SIGNIFICANCE:
The association of Beta-1,4-glucuronyltransferase 1 with Muscular dystrophy-dystroglycanopathy underscores its therapeutic potential. By elucidating the enzyme's role in this genetic disorder, researchers can pave the way for innovative treatments that could ameliorate or even prevent the progression of related muscular and neurological impairments.

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