Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 38

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q8NB14

UPID:

UBP38_HUMAN

Alternative names:

Deubiquitinating enzyme 38; HP43.8KD; Ubiquitin thioesterase 38; Ubiquitin-specific-processing protease 38

Alternative UPACC:

Q8NB14; B3KX93; Q3ZCV1; Q8NDF5; Q96DK6; Q96PZ6; Q9BY55

Background:

Ubiquitin carboxyl-terminal hydrolase 38, also known as Deubiquitinating enzyme 38, plays a pivotal role in cellular processes such as DNA repair, cell cycle regulation, and immune response. It is instrumental in the inhibition of type I interferon signaling, DNA damage response, and regulates MYC levels and cell proliferation. This enzyme is crucial for maintaining the balance of protein ubiquitination, a post-translational modification affecting protein stability and function.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 38 could open doors to potential therapeutic strategies. Its involvement in key cellular processes and regulation of protein ubiquitination presents it as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.