Focused On-demand Library for Sodium/glucose cotransporter 1

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P13866

UPID:

SC5A1_HUMAN

Alternative names:

High affinity sodium-glucose cotransporter; Solute carrier family 5 member 1

Alternative UPACC:

P13866; B2R7E2; B7Z4Q9; B7ZA69

Background:

Sodium/glucose cotransporter 1, also known as Solute carrier family 5 member 1, plays a pivotal role in the active transport of D-glucose or D-galactose across cell membranes, utilizing a Na+ gradient. It is essential for the absorption of dietary monosaccharides from the intestines to the bloodstream and has a significant function in glucose sensing, contributing to energy homeostasis.

Therapeutic significance:

The protein's malfunction is linked to Congenital glucose/galactose malabsorption, a severe disorder requiring the elimination of glucose and galactose from the diet. Understanding the role of Sodium/glucose cotransporter 1 could open doors to potential therapeutic strategies for managing this condition and improving patient outcomes.