AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for E3 ubiquitin/ISG15 ligase TRIM25

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q14258

UPID:

TRI25_HUMAN

Alternative names:

Estrogen-responsive finger protein; RING finger protein 147; RING-type E3 ubiquitin transferase; RING-type E3 ubiquitin transferase TRIM25; Tripartite motif-containing protein 25; Ubiquitin/ISG15-conjugating enzyme TRIM25; Zinc finger protein 147

Alternative UPACC:

Q14258

Background:

E3 ubiquitin/ISG15 ligase TRIM25, also known as Estrogen-responsive finger protein and RING finger protein 147, plays a pivotal role in innate immune defense against viruses. It functions by mediating ubiquitination of key immune signaling molecules such as RIGI and IFIH1, facilitating the production of interferons in response to viral infection. Additionally, TRIM25 is involved in various cellular processes including signal transduction, estrogen action, and DNA replication fork restart, highlighting its multifunctional nature.

Therapeutic significance:

Understanding the role of E3 ubiquitin/ISG15 ligase TRIM25 could open doors to potential therapeutic strategies.

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