Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 4

Details

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening 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 stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q13107

UPID:
UBP4_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme 4; Ubiquitin thioesterase 4; Ubiquitin-specific-processing protease 4; Ubiquitous nuclear protein homolog

ALTERNATIVE UPACC:
Q13107; A8K6Y0; C9IY91; O43452; O43453; Q08AK8

BACKGROUND:
Ubiquitin carboxyl-terminal hydrolase 4, ubiquitously expressed and known under names like Ubiquitin thioesterase 4, is pivotal in cellular homeostasis by its deubiquitinating activity. It ensures the proper function of proteins by removing ubiquitin, affecting various biological processes such as mRNA splicing and ER quality control. Notably, it deubiquitinates HAS2 and influences the spliceosomal protein PRPF3, indicating a broad regulatory role.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Ubiquitin carboxyl-terminal hydrolase 4 holds promise for uncovering novel therapeutic targets. Its broad impact on protein stability, cell signaling, and gene expression regulation positions it as a key player in developing treatments for complex diseases.

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