Focused On-demand Library for Lysosomal alpha-glucosidase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages 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.