AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for E3 ubiquitin-protein ligase TRIM17

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 our associate Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening 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

Reaxense

upacc

Q9Y577

UPID:

TRI17_HUMAN

Alternative names:

RING finger protein 16; RING-type E3 ubiquitin transferase TRIM17; Testis RING finger protein; Tripartite motif-containing protein 17

Alternative UPACC:

Q9Y577; B4DVJ2; Q5VST8

Background:

E3 ubiquitin-protein ligase TRIM17, also known as RING finger protein 16, plays a pivotal role in neuronal apoptosis, selective autophagy, and cell proliferation. It regulates the degradation of proteins such as ZWINT and MCL1, influencing cell growth and survival. TRIM17's interaction with BECN1 and NFAT transcription factors further underscores its regulatory complexity in cellular processes.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase TRIM17 could open doors to potential therapeutic strategies. Its involvement in key cellular mechanisms like apoptosis and autophagy highlights its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.

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