Focused On-demand Library for Nucleolar protein 3

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.

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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Reaxense

upacc

O60936

UPID:

NOL3_HUMAN

Alternative names:

Apoptosis repressor with CARD; Muscle-enriched cytoplasmic protein; Nucleolar protein of 30 kDa

Alternative UPACC:

O60936; B4DFL0; O60937

Background:

Nucleolar protein 3, also known as Apoptosis repressor with CARD, plays a crucial role in RNA splicing and apoptosis regulation. It inhibits both extrinsic and intrinsic apoptotic pathways, interacting with key proteins such as FAS, FADD, CASP8, and BAX to prevent cell death. Additionally, it serves as a cytosolic calcium buffer and regulates oxidative stress-induced apoptosis.

Therapeutic significance:

Given its involvement in familial myoclonus 1, a neurologic condition characterized by involuntary movements, understanding Nucleolar protein 3's function could pave the way for novel therapeutic strategies targeting this and potentially other related neurological disorders.