Focused On-demand Library for WW domain-binding protein 11

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

Q9Y2W2

UPID:

WBP11_HUMAN

Alternative names:

Npw38-binding protein; SH3 domain-binding protein SNP70; Splicing factor that interacts with PQBP-1 and PP1

Alternative UPACC:

Q9Y2W2; Q96AY8

Background:

WW domain-binding protein 11, also known as Npw38-binding protein, SH3 domain-binding protein SNP70, and Splicing factor that interacts with PQBP-1 and PP1, plays a crucial role in pre-mRNA splicing and may modulate PP1 phosphatase activity. Its involvement in multiple cellular processes underscores its importance in cellular function and regulation.

Therapeutic significance:

Linked to Vertebral, cardiac, tracheoesophageal, renal, and limb defects, a disorder with diverse manifestations, WW domain-binding protein 11's genetic variants offer insights into its pivotal role in disease pathology. Understanding its function could pave the way for innovative therapeutic approaches targeting these complex conditions.