AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sodium/glucose cotransporter 2

Available from Reaxense
Predicted by Alphafold

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P31639

UPID:

SC5A2_HUMAN

Alternative names:

Low affinity sodium-glucose cotransporter; Solute carrier family 5 member 2

Alternative UPACC:

P31639; A2RRD2

Background:

Sodium/glucose cotransporter 2 (SGLT2), also known as solute carrier family 5 member 2, plays a pivotal role in glucose homeostasis. It functions as an electrogenic Na(+)-coupled sugar simporter, facilitating D-glucose reabsorption in the kidney's proximal tubules. This process is essential for maintaining normal glucose levels in the body.

Therapeutic significance:

SGLT2's involvement in renal glucosuria, a condition characterized by abnormal glucose excretion in urine despite normal blood glucose levels, underscores its therapeutic potential. Targeting SGLT2 could lead to innovative treatments for managing glucose levels in patients, offering a promising avenue for diabetes care.

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