Focused On-demand Library for Tripartite motif-containing protein 2

Details

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Q9C040

UPID:
TRIM2_HUMAN

ALTERNATIVE NAMES:
E3 ubiquitin-protein ligase TRIM2; RING finger protein 86; RING-type E3 ubiquitin transferase TRIM2

ALTERNATIVE UPACC:
Q9C040; D3DP09; O60272; Q9BSI9; Q9UFZ1

BACKGROUND:
The protein Tripartite motif-containing protein 2, with aliases such as E3 ubiquitin-protein ligase TRIM2, plays a crucial role in neuroprotection and antiviral defense. Its activities include the ubiquitination of key proteins like NEFL and BCL2L11, essential for neuronal health and response to ischemic events. TRIM2's function extends to limiting infection by specific arenaviruses, showcasing its importance in immune responses.

THERAPEUTIC SIGNIFICANCE:
Given TRIM2's critical role in Charcot-Marie-Tooth disease, axonal, 2R, understanding its mechanisms opens doors to potential therapeutic strategies for managing this debilitating neuropathy. Targeting TRIM2 could offer new avenues for treatment and improve quality of life for affected individuals.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.