Focused On-demand Library for Mannosyl-oligosaccharide 1,2-alpha-mannosidase IB

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening 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.

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

O60476

UPID:

MA1A2_HUMAN

Alternative names:

Mannosidase alpha class 1A member 2; Processing alpha-1,2-mannosidase IB

Alternative UPACC:

O60476; Q9H510

Background:

Mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, also known as Mannosidase alpha class 1A member 2 and Processing alpha-1,2-mannosidase IB, plays a crucial role in the maturation of Asn-linked oligosaccharides. This enzyme is responsible for trimming alpha-1,2-linked mannose residues from Man(9)GlcNAc(2) to produce Man(5)GlcNAc(2), a process essential for proper protein folding and function.

Therapeutic significance:

Understanding the role of Mannosyl-oligosaccharide 1,2-alpha-mannosidase IB could open doors to potential therapeutic strategies. Its critical function in protein maturation and folding highlights its potential as a target for developing treatments for diseases caused by protein misfolding.