AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.

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