AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Alpha-mannosidase 2C1

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening 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

Reaxense

upacc

Q9NTJ4

UPID:

MA2C1_HUMAN

Alternative names:

Alpha mannosidase 6A8B; Alpha-D-mannoside mannohydrolase; Mannosidase alpha class 2C member 1

Alternative UPACC:

Q9NTJ4; H3BMX2; H3BQY8; H3BUT6; Q13358; Q68EM8; Q9UL64

Background:

Alpha-mannosidase 2C1, also known as Alpha mannosidase 6A8B, Alpha-D-mannoside mannohydrolase, and Mannosidase alpha class 2C member 1, plays a crucial role in the degradation pathways of N-glycoproteins. It specifically cleaves alpha 1,2-, alpha 1,3-, and alpha 1,6-linked mannose residues on cytoplasmatic free oligosaccharides, facilitating the recycling of glycoproteins within the cell.

Therapeutic significance:

The protein is implicated in Congenital disorder of deglycosylation 2, a rare autosomal recessive disorder characterized by facial dysmorphism, brain anomalies, and intellectual disability. Understanding the role of Alpha-mannosidase 2C1 could open doors to potential therapeutic strategies for this disorder, highlighting its significance in medical research.

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