AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 30

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

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

Reaxense

upacc

Q70CQ3

UPID:

UBP30_HUMAN

Alternative names:

Deubiquitinating enzyme 30; Ubiquitin thioesterase 30; Ubiquitin-specific-processing protease 30

Alternative UPACC:

Q70CQ3; Q8WTU7; Q96JX4; Q9BSS3

Background:

Ubiquitin carboxyl-terminal hydrolase 30, also known as Deubiquitinating enzyme 30, plays a pivotal role in mitochondrial health by inhibiting mitophagy through deubiquitinating proteins targeted by parkin. It specifically targets 'Lys-6'- and 'Lys-11'-linked polyubiquitin chains, crucial for mitophagic signaling, and regulates mitochondrial fusion by acting on MFN1 and MFN2.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 30 could open doors to potential therapeutic strategies, especially in diseases where mitophagy and mitochondrial dynamics are disrupted.

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