Focused On-demand Library for Equilibrative nucleoside transporter 3

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.

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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Q9BZD2

UPID:

S29A3_HUMAN

Alternative names:

Solute carrier family 29 member 3

Alternative UPACC:

Q9BZD2; B2RB50; B4E2Z9; B7ZA37; Q0VAM9; Q5T465; Q7RTT8; Q8IVZ0; Q9BWI2; Q9NUS9

Background:

Equilibrative nucleoside transporter 3 (ENT3) is a pivotal protein facilitating the transport of nucleosides and deoxynucleosides across lysosomal and mitochondrial membranes. It operates as a non-electrogenic, Na(+)-independent transporter, with its activity enhanced under acidic conditions. ENT3's ability to transport a wide range of substrates, including nucleosides, deoxynucleosides, purine and pyrimidine nucleobases, as well as monoamine neurotransmitters and ATP, underscores its essential role in cellular nucleic acid salvage synthesis and neurotransmission.

Therapeutic significance:

ENT3's involvement in Histiocytosis-lymphadenopathy plus syndrome, a complex disease with features of histiocytosis disorders, highlights its potential as a therapeutic target. Understanding the role of ENT3 could open doors to potential therapeutic strategies for managing this syndrome and possibly other related disorders.