Focused On-demand Library for Nuclear receptor subfamily 4 group A member 2

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

P43354

UPID:

NR4A2_HUMAN

Alternative names:

Immediate-early response protein NOT; Orphan nuclear receptor NURR1; Transcriptionally-inducible nuclear receptor

Alternative UPACC:

P43354; Q16311; Q53RZ2; Q6NXU0

Background:

Nuclear receptor subfamily 4 group A member 2 (NURR1) plays a pivotal role in the differentiation and maintenance of meso-diencephalic dopaminergic neurons. It regulates essential genes like SLC6A3, SLC18A2, TH, and DRD2, crucial for neuronal development.

Therapeutic significance:

NURR1's involvement in Intellectual developmental disorder with language impairment and early-onset DOPA-responsive dystonia-parkinsonism highlights its therapeutic potential. Understanding NURR1's role could open doors to innovative treatments for this disorder.