AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ubiquitin-like domain-containing CTD phosphatase 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our high-tech, dedicated method is applied to construct 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

Q8WVY7

UPID:

UBCP1_HUMAN

Alternative names:

Nuclear proteasome inhibitor UBLCP1

Alternative UPACC:

Q8WVY7; D3DQJ7; Q96DK5

Background:

Ubiquitin-like domain-containing CTD phosphatase 1 (UBLCP1) plays a critical role in cellular processes by modulating the proteolytic activity of 26S nuclear proteasomes. It achieves this through dephosphorylation, directly impacting proteasome assembly and function. UBLCP1's interaction with the 19S regulatory particle underscores its pivotal role in proteasome regulation.

Therapeutic significance:

Understanding the role of Ubiquitin-like domain-containing CTD phosphatase 1 could open doors to potential therapeutic strategies. Its regulatory function in proteasome activity highlights its potential as a target in diseases where proteasome function is dysregulated.

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