AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Wilms tumor protein

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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 strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

P19544

UPID:

WT1_HUMAN

Alternative names:

WT33

Alternative UPACC:

P19544; A8K6S1; B3KSA5; Q15881; Q16256; Q16575; Q4VXV4; Q4VXV5; Q4VXV6; Q8IYZ5

Background:

The Wilms tumor protein (WT33) is a pivotal transcription factor involved in cellular development and survival. It binds to specific DNA sequences, regulating the expression of target genes such as EPO, and plays a crucial role in the development of the urogenital system. Its function varies by isoform, with some acting as transcription factors and others involved in mRNA metabolism or splicing.

Therapeutic significance:

WT33 is linked to several diseases, including Frasier syndrome, Wilms tumor 1, Denys-Drash syndrome, Nephrotic syndrome 4, Meacham syndrome, and malignant Mesothelioma. Its dual role as a tumor suppressor and oncogene highlights its potential as a target for therapeutic strategies in these conditions.

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