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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Reaxense

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:

E3 ubiquitin-protein ligase TRIP12, also known as HECT-type E3 ubiquitin transferase TRIP12 or Thyroid receptor-interacting protein 12, plays a pivotal role in the ubiquitin fusion degradation pathway and DNA repair regulation. It mediates ubiquitination of proteins at their N-terminus and acts as a key regulator of DNA damage response. TRIP12 suppresses RNF168, preventing excessive ubiquitinated chromatin spread at damaged chromosomes. It also targets isoform p19ARF/ARF of CDKN2A for degradation, a crucial process under oncogenic stress.

Therapeutic significance:

TRIP12's involvement in Clark-Baraitser syndrome, characterized by intellectual disability and delayed development, underscores its potential as a therapeutic target. Understanding the role of E3 ubiquitin-protein ligase TRIP12 could open doors to potential therapeutic strategies.