Focused On-demand Library for Xyloside xylosyltransferase 1

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q8NBI6

UPID:

XXLT1_HUMAN

Alternative names:

UDP-xylose:alpha-xyloside alpha-1,3-xylosyltransferase

Alternative UPACC:

Q8NBI6; D3DNW5; Q8NAL3; Q8WV03; Q96ME0

Background:

Xyloside xylosyltransferase 1, also known as UDP-xylose:alpha-xyloside alpha-1,3-xylosyltransferase, plays a crucial role in the post-translational modification of proteins. It is responsible for the elongation of the O-linked xylose-glucose disaccharide on EGF-like repeats in the extracellular domain of target proteins, including Notch proteins and coagulation factors like F9. This enzymatic activity is essential for proper protein function and signaling.

Therapeutic significance:

Understanding the role of Xyloside xylosyltransferase 1 could open doors to potential therapeutic strategies. Its involvement in the modification of key signaling and coagulation proteins suggests that modulating its activity could have implications for treating diseases related to these pathways.