Focused On-demand Library for Netrin-1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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 receptors.

Fig. 1. The sreening workflow of Receptor.AI

This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of mechanisms of action.

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

O95631

UPID:

NET1_HUMAN

Alternative names:

Epididymis tissue protein Li 131P

Alternative UPACC:

O95631; E9KL51

Background:

Netrin-1, also known as Epididymis tissue protein Li 131P, plays a pivotal role in the development of the central nervous system. It guides commissural axons and peripheral motor axons, influencing their direction by either attracting or repelling them through its interaction with DCC or UNC5 receptors, respectively. Its ability to regulate microtubule dynamics via UNC5C and its involvement in dorsal root ganglion axon projection underscore its critical function in neural pathway formation.

Therapeutic significance:

The association of Netrin-1 with diseases such as Mirror movements 4, where it is implicated due to genetic variants affecting its gene, highlights its potential as a target for therapeutic intervention. Understanding the role of Netrin-1 could open doors to potential therapeutic strategies.