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.

We utilise our cutting-edge, exclusive workflow to develop 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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's 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.