Focused On-demand Library for Neutral alpha-glucosidase AB

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.


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 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
Q14697

UPID:
GANAB_HUMAN

ALTERNATIVE NAMES:
Alpha-glucosidase 2; Glucosidase II subunit alpha

ALTERNATIVE UPACC:
Q14697; A6NC20; Q8WTS9; Q9P0X0

BACKGROUND:
The enzyme Neutral alpha-glucosidase AB, known alternatively as Alpha-glucosidase 2, is crucial for the enzymatic process that ensures the correct folding and functionality of glycoproteins by removing specific glucose residues. This process is vital for the proper maturation of PKD1 and PKD2 proteins, which are key to cellular signaling and structural integrity.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in the development of Polycystic kidney disease 3, targeting Neutral alpha-glucosidase AB presents a promising avenue for therapeutic intervention. The enzyme's function in protein maturation and localization offers a unique opportunity to disrupt the progression of kidney and liver cyst formation, providing hope for patients with this autosomal dominant disease.

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