Focused On-demand Library for E3 ubiquitin-protein ligase TRIM71

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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.


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
Q2Q1W2

UPID:
LIN41_HUMAN

ALTERNATIVE NAMES:
Protein lin-41 homolog; RING-type E3 ubiquitin transferase TRIM71; Tripartite motif-containing protein 71

ALTERNATIVE UPACC:
Q2Q1W2

BACKGROUND:
The E3 ubiquitin-protein ligase TRIM71, with alternative names Protein lin-41 homolog and Tripartite motif-containing protein 71, is a key regulator of embryonic stem cell dynamics and neural progenitor cell proliferation. It engages in miRNA-mediated and independent post-transcriptional mRNA repression, crucial for stem cell self-renewal and early neural development. TRIM71's regulation of FGF signaling and miRNA biogenesis, including MIR29A, highlights its complex role in cellular processes.

THERAPEUTIC SIGNIFICANCE:
Given TRIM71's critical role in congenital hydrocephalus, particularly Hydrocephalus, congenital, 4, exploring its function opens avenues for developing targeted therapies. This protein's intricate involvement in neurodevelopmental pathways presents a promising target for addressing neurological conditions, paving the way for breakthroughs in treatment strategies.

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