Focused On-demand Library for Probable ubiquitin carboxyl-terminal hydrolase FAF-X

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.

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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

Q93008

UPID:

USP9X_HUMAN

Alternative names:

Deubiquitinating enzyme FAF-X; Fat facets in mammals; Fat facets protein-related, X-linked; Ubiquitin thioesterase FAF-X; Ubiquitin-specific protease 9, X chromosome; Ubiquitin-specific-processing protease FAF-X

Alternative UPACC:

Q93008; O75550; Q8WWT3; Q8WX12

Background:

Probable ubiquitin carboxyl-terminal hydrolase FAF-X, also known as Ubiquitin-specific protease 9, X chromosome, plays a pivotal role in protein turnover and signal transduction through its deubiquitinating activities. It is involved in various cellular processes including DNA repair, TGF-beta/BMP signaling, mTORC2 complex assembly, chromosome segregation, neuronal cell migration, circadian rhythm regulation, and peroxisome import.

Therapeutic significance:

The protein's association with Intellectual developmental disorder, X-linked 99, and its syndromic form highlights its critical role in neurological development and function. Understanding the role of Probable ubiquitin carboxyl-terminal hydrolase FAF-X could open doors to potential therapeutic strategies for these intellectual disabilities.