Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 8

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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

P40818

UPID:

UBP8_HUMAN

Alternative names:

Deubiquitinating enzyme 8; Ubiquitin isopeptidase Y; Ubiquitin thioesterase 8; Ubiquitin-specific-processing protease 8

Alternative UPACC:

P40818; B4DKA8; Q2TB31; Q7Z3U2; Q86VA0; Q8IWI7

Background:

Ubiquitin carboxyl-terminal hydrolase 8, also known as Deubiquitinating enzyme 8, plays a crucial role in protein turnover by removing conjugated ubiquitin, thus preventing degradation. It is involved in various cellular processes including cell proliferation, T-cell anergy regulation, and endosomal ubiquitin dynamics. Its activity is pivotal in maintaining the balance of protein ubiquitination, essential for cellular homeostasis and organelle morphology.

Therapeutic significance:

The protein's involvement in Pituitary adenoma 4, ACTH-secreting, through excessive adrenocorticotropic hormone production leading to Cushing syndrome, highlights its therapeutic significance. Understanding the role of Ubiquitin carboxyl-terminal hydrolase 8 could open doors to potential therapeutic strategies for treating this neuroendocrine tumor and its systemic manifestations.