Focused On-demand Library for Lysosomal alpha-glucosidase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 high-tech, dedicated method is applied to construct targeted 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

P10253

UPID:

LYAG_HUMAN

Alternative names:

Acid maltase; Aglucosidase alfa

Alternative UPACC:

P10253; Q09GN4; Q14351; Q16302; Q8IWE7

Background:

Lysosomal alpha-glucosidase, also known as Acid maltase or Aglucosidase alfa, plays a pivotal role in the breakdown of glycogen within lysosomes. It primarily targets alpha-1,4-linked glycosidic linkages but also has the capability to hydrolyze alpha-1,6-linked glucans. This enzyme's activity is crucial for the proper degradation of glycogen, a key energy storage molecule in cells.

Therapeutic significance:

Glycogen storage disease 2, also known as Pompe disease, is directly linked to mutations affecting the gene encoding Lysosomal alpha-glucosidase. This disorder ranges from severe infantile forms with cardiomyopathy and muscular hypotonia to adult forms characterized by limb-girdle muscular dystrophy. Understanding the enzymatic function and genetic regulation of Lysosomal alpha-glucosidase could lead to targeted therapies for this metabolic disorder.