Focused On-demand Library for Equilibrative nucleoside transporter 3

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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.