Focused On-demand Library for WW domain-containing oxidoreductase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

Q9NZC7

UPID:

WWOX_HUMAN

Alternative names:

Fragile site FRA16D oxidoreductase; Short chain dehydrogenase/reductase family 41C member 1

Alternative UPACC:

Q9NZC7; A8K323; Q5MYT5; Q96KM3; Q96RF2; Q9BTT8; Q9NPC9; Q9NRF4; Q9NRF5; Q9NRF6; Q9NRK1; Q9NZC5

Background:

The WW domain-containing oxidoreductase, also known as Fragile site FRA16D oxidoreductase and Short chain dehydrogenase/reductase family 41C member 1, is a putative oxidoreductase. It acts as a tumor suppressor, playing a pivotal role in apoptosis and is essential for normal bone development. This protein is involved in controlling genotoxic stress-induced cell death, functions in TGFB1 signaling, and TGFB1-mediated cell death, and inhibits Wnt signaling by sequestering DVL2 in the cytoplasm.

Therapeutic significance:

WW domain-containing oxidoreductase is linked to several diseases, including Esophageal cancer, Spinocerebellar ataxia, autosomal recessive, 12, and Developmental and epileptic encephalopathy 28. Its role in apoptosis and tumor suppression makes it a target for therapeutic strategies aimed at these conditions.