Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
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, with alternative names High affinity sodium-glucose cotransporter and Solute carrier family 5 member 1, is crucial for dietary monosaccharide transport from enterocytes to blood. It also acts as a glucose sensor, influencing food intake and energy balance, and plays a role in glucose reabsorption in the kidneys.

THERAPEUTIC SIGNIFICANCE:
Linked to Congenital glucose/galactose malabsorption, Sodium/glucose cotransporter 1's dysfunction necessitates dietary adjustments to prevent fatal outcomes. Exploring its mechanisms offers a promising avenue for developing novel treatments for this and potentially other glucose transport-related disorders.

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