Focused On-demand Library for Neutral alpha-glucosidase AB

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.

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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q14697

UPID:

GANAB_HUMAN

Alternative names:

Alpha-glucosidase 2; Glucosidase II subunit alpha

Alternative UPACC:

Q14697; A6NC20; Q8WTS9; Q9P0X0

Background:

Neutral alpha-glucosidase AB, also known as Alpha-glucosidase 2 and Glucosidase II subunit alpha, plays a pivotal role in the maturation and localization of PKD1/Polycystin-1 and PKD2/Polycystin-2 to the cell surface and cilia. It is essential in cleaving the 2 innermost alpha-1,3-linked glucose residues from the oligosaccharide precursor of immature glycoproteins, facilitating proper protein folding and function.

Therapeutic significance:

The protein's involvement in Polycystic kidney disease 3, a condition leading to end-stage renal disease, underscores its therapeutic significance. Understanding the role of Neutral alpha-glucosidase AB could open doors to potential therapeutic strategies for treating or managing this genetic disorder and possibly other related cystic diseases.