Focused On-demand Library for Protein Wnt-4

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.

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 top-notch dedicated system is used to design specialised 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

P56705

UPID:

WNT4_HUMAN

Alternative names:

Alternative UPACC:

P56705; B4DJF9; Q5TZQ0; Q96T81; Q9BXF5; Q9H1J8; Q9UJM2

Background:

Protein Wnt-4, encoded by the gene with accession number P56705, is pivotal in embryonic development, particularly in the urogenital tract and lung. It acts as a ligand for frizzled family receptors, facilitating crucial processes such as the mesenchyme to epithelium transition in kidney development and the formation of early epithelial renal vesicles. Additionally, Wnt-4 is essential for the development of the Mullerian duct and the regulation of oocyte levels in the ovaries.

Therapeutic significance:

The involvement of Protein Wnt-4 in diseases such as 46,XX sex reversal with dysgenesis of kidneys, adrenals, and lungs, and Mullerian aplasia and hyperandrogenism highlights its therapeutic potential. Understanding the role of Protein Wnt-4 could open doors to potential therapeutic strategies for these conditions.