Focused On-demand Library for WD repeat-containing protein 26

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds 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

Q9H7D7

UPID:

WDR26_HUMAN

Alternative names:

CUL4- and DDB1-associated WDR protein 2; Myocardial ischemic preconditioning up-regulated protein 2

Alternative UPACC:

Q9H7D7; A0MNN3; Q4G100; Q59EC4; Q5GLZ9; Q86UY4; Q9H3C2

Background:

WD repeat-containing protein 26, also known as CUL4- and DDB1-associated WDR protein 2 or Myocardial ischemic preconditioning up-regulated protein 2, plays a pivotal role in cell signal transduction. It acts as a negative regulator in the MAPK signaling pathway and functions as a scaffolding protein to promote PLCB2 plasma membrane translocation in leukocytes. Additionally, it is a core component of the CTLH E3 ubiquitin-protein ligase complex, influencing the ubiquitination and degradation of HBP1. It also regulates the Wnt signaling pathway and PI3K/AKT pathway, and protects cells from oxidative stress-induced apoptosis.

Therapeutic significance:

WD repeat-containing protein 26's involvement in Skraban-Deardorff syndrome, characterized by developmental delay and seizures, underscores its therapeutic significance. Understanding its role could lead to novel therapeutic strategies for this syndrome and other related conditions.