Focused On-demand Library for E3 ubiquitin-protein ligase TRIP12

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.


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.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q14669

UPID:
TRIPC_HUMAN

ALTERNATIVE NAMES:
E3 ubiquitin-protein ligase for Arf; HECT-type E3 ubiquitin transferase TRIP12; Thyroid receptor-interacting protein 12

ALTERNATIVE UPACC:
Q14669; D4HL82; Q14CA3; Q14CF1; Q15644; Q53R87; Q53TE7

BACKGROUND:
The protein E3 ubiquitin-protein ligase TRIP12, with alternative names such as HECT-type E3 ubiquitin transferase TRIP12, is integral to the ubiquitin fusion degradation pathway and the regulation of DNA repair mechanisms. By ubiquitinating proteins regardless of lysine residues and regulating DNA damage response, TRIP12 plays a crucial role in maintaining genomic stability. Its activity includes the suppression of RNF168 to control ubiquitinated chromatin spread and the degradation of specific isoforms of CDKN2A, highlighting its significance in cellular stress responses.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in Clark-Baraitser syndrome and its function in DNA repair and cellular stress responses, targeting E3 ubiquitin-protein ligase TRIP12 presents a promising avenue for developing novel therapeutic interventions. Understanding the role of TRIP12 could open doors to potential therapeutic strategies.

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