Focused On-demand Library for E3 ubiquitin-protein ligase NHLRC1

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q6VVB1

UPID:
NHLC1_HUMAN

ALTERNATIVE NAMES:
Malin; NHL repeat-containing protein 1; RING-type E3 ubiquitin transferase NHLRC1

ALTERNATIVE UPACC:
Q6VVB1; Q3SYB1; Q5VUK7; Q6IMH1

BACKGROUND:
The protein E3 ubiquitin-protein ligase NHLRC1, known alternatively as Malin, is integral to the degradation of misfolded proteins and excess glycogen through ubiquitination. By forming complexes with EPM2A/laforin and HSP70, NHLRC1 enhances the cellular ability to manage and dispose of toxic aggregates via the ubiquitin-proteasome system and autophagy, crucial for maintaining cellular health and preventing disease.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in the pathogenesis of Epilepsy, progressive myoclonic 2 (EPM2), NHLRC1 represents a promising target for therapeutic intervention. The protein's unique function in the clearance of Lafora bodies, which are central to EPM2's neurodegenerative and epileptic symptoms, highlights the potential for developing novel treatments aimed at modulating NHLRC1's activity to combat this devastating condition.

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