AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Deubiquitinase DESI2

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.

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 our partner Reaxense.

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 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 distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9BSY9

UPID:

DESI2_HUMAN

Alternative names:

Desumoylating isopeptidase 2; PPPDE peptidase domain-containing protein 1; Protein FAM152A

Alternative UPACC:

Q9BSY9; B1APK6; Q5VVC6; Q9NYS2; Q9Y3E4

Background:

Deubiquitinase DESI2, also known as Desumoylating isopeptidase 2, PPPDE peptidase domain-containing protein 1, and Protein FAM152A, exhibits deubiquitinating activity towards 'Lys-48'- and 'Lys-63'-linked polyubiquitin chains. It specifically deubiquitinates 'Lys-48'-linked polyubiquitination of RPS7, leading to its stabilization, a process crucial for protein homeostasis and cellular functions.

Therapeutic significance:

Understanding the role of Deubiquitinase DESI2 could open doors to potential therapeutic strategies. Its unique ability to regulate protein stability through deubiquitination positions it as a key player in cellular homeostasis and disease mechanisms.

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