Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
P49641

UPID:
MA2A2_HUMAN

ALTERNATIVE NAMES:
Alpha-mannosidase IIx; Mannosidase alpha class 2A member 2; Mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase

ALTERNATIVE UPACC:
P49641; A6NH12; A8K1E8; Q13754

BACKGROUND:
The enzyme Alpha-mannosidase 2x, with alternative names including Alpha-mannosidase IIx and Mannosidase alpha class 2A member 2, catalyzes the crucial first committed step in the formation of complex N-glycans. This process is essential for the conversion of high mannose forms into complex N-glycans, representing the ultimate hydrolytic phase in the maturation of N-glycans.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Alpha-mannosidase 2x could lead to the development of innovative therapeutic approaches.

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