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 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 use our state-of-the-art dedicated workflow for designing focused 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.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
O94972

UPID:
TRI37_HUMAN

ALTERNATIVE NAMES:
Mulibrey nanism protein; RING-type E3 ubiquitin transferase TRIM37; Tripartite motif-containing protein 37

ALTERNATIVE UPACC:
O94972; A8K0V9; A8K8U4; A8MZ79; B4DGZ3; F8WEE6; Q7Z3E6; Q8IYF7; Q8WYF7

BACKGROUND:
The Tripartite motif-containing protein 37, or TRIM37, is a multifunctional E3 ubiquitin-protein ligase involved in key cellular mechanisms such as epigenetic regulation, peroxisome import, and centriole duplication. Its activity against HIV highlights its potential in antiviral defense.

THERAPEUTIC SIGNIFICANCE:
TRIM37's mutation is causative for Mulibrey nanism, characterized by growth failure and cardiomyopathy among other symptoms. Exploring TRIM37's functions offers a promising pathway to developing targeted therapies for this and potentially other diseases.

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