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 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

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.