AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Josephin-1

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Reaxense

upacc

Q15040

UPID:

JOS1_HUMAN

Alternative names:

Josephin domain-containing protein 1

Alternative UPACC:

Q15040; A8K712

Background:

Josephin-1, also known as Josephin domain-containing protein 1, plays a crucial role in cellular processes through its ability to deubiquitinate monoubiquitinated probes. Its activity in cleaving both 'Lys-63'-linked and 'Lys-48'-linked poly-ubiquitin chains underscores its significance as a deubiquitinating enzyme. Beyond its enzymatic functions, Josephin-1 is implicated in enhancing membrane dynamics and cell motility, as well as modulating endocytosis pathways.

Therapeutic significance:

Understanding the role of Josephin-1 could open doors to potential therapeutic strategies. Its involvement in critical cellular mechanisms, including ubiquitination and endocytosis, positions it as a key target for drug discovery efforts aimed at treating diseases with underlying cellular dysfunctions.

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