Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 2

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.


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 Reaxense.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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 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
O75604

UPID:
UBP2_HUMAN

ALTERNATIVE NAMES:
41 kDa ubiquitin-specific protease; Deubiquitinating enzyme 2; Ubiquitin thioesterase 2; Ubiquitin-specific-processing protease 2

ALTERNATIVE UPACC:
O75604; B0YJB8; E9PPM2; Q8IUM2; Q8IW04; Q96MB9; Q9BQ21

BACKGROUND:
Ubiquitin carboxyl-terminal hydrolase 2, also referred to as Ubiquitin-specific-processing protease 2, is integral to deubiquitinating polyubiquitinated proteins such as MDM2 and MDM4, thereby indirectly limiting p53 activity and influencing cancer cell proliferation. It plays a crucial role in the G1/S transition of the cell cycle and is involved in regulating the circadian clock by modulating the stability and nuclear retention of core clock components like PER1. This protein also impacts calcium absorption in the intestine, suggesting a role in metabolic processes.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Ubiquitin carboxyl-terminal hydrolase 2 could open doors to potential therapeutic strategies.

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