Focused On-demand Library for Polyadenylate-binding protein 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.

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

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening 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

Reaxense

upacc

Q86U42

UPID:

PABP2_HUMAN

Alternative names:

Nuclear poly(A)-binding protein 1; Poly(A)-binding protein II; Polyadenylate-binding nuclear protein 1

Alternative UPACC:

Q86U42; D3DS49; O43484

Background:

Polyadenylate-binding protein 2, also known as Nuclear poly(A)-binding protein 1, plays a crucial role in mRNA processing. It is involved in the 3'-end formation of mRNA precursors by adding a poly(A) tail, which is essential for mRNA stability and translation. This protein also participates in mRNA metabolism, including nucleocytoplasmic trafficking and nonsense-mediated decay, and cooperates with SKIP to activate muscle-specific genes.

Therapeutic significance:

Polyadenylate-binding protein 2 is linked to Oculopharyngeal muscular dystrophy, a disease characterized by eyelid ptosis and dysphagia. Understanding the role of this protein could open doors to potential therapeutic strategies for treating this form of myopathy.