Focused On-demand Library for RNA-binding protein Nova-2

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening 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.


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
Receptor.AI
 
UPACC
Q9UNW9

UPID:
NOVA2_HUMAN

ALTERNATIVE NAMES:
Astrocytic NOVA1-like RNA-binding protein; Neuro-oncological ventral antigen 2

ALTERNATIVE UPACC:
Q9UNW9; O43267; Q9UEA1

BACKGROUND:
The RNA-binding protein Nova-2, alternatively known as Astrocytic NOVA1-like RNA-binding protein, is essential for central nervous system development. It regulates alternative splicing by binding pre-mRNA, affecting the assembly of protein complexes on pre-mRNA and thus influencing exon inclusion or exclusion. Its role in cortical development and motor coordination highlights its importance in neural network wiring and brain function.

THERAPEUTIC SIGNIFICANCE:
Linked to a specific neurodevelopmental disorder, Nova-2's involvement in intellectual disability, motor and speech delay, and structural brain abnormalities underscores its potential as a target for therapeutic intervention. Exploring Nova-2's function could lead to breakthroughs in treating these complex conditions.

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