AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Alpha-mannosidase 2x

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 our associate 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 sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

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:

Alpha-mannosidase 2x, known alternatively as Alpha-mannosidase IIx, Mannosidase alpha class 2A member 2, and Mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase, plays a pivotal role in the biosynthesis of complex N-glycans. It is instrumental in the conversion of high mannose to complex N-glycans, marking the final hydrolytic step in the N-glycan maturation pathway.

Therapeutic significance:

Understanding the role of Alpha-mannosidase 2x could open doors to potential therapeutic strategies.

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