AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for U5 small nuclear ribonucleoprotein 200 kDa helicase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

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

O75643

UPID:

U520_HUMAN

Alternative names:

Activating signal cointegrator 1 complex subunit 3-like 1; BRR2 homolog; U5 snRNP-specific 200 kDa protein

Alternative UPACC:

O75643; O94884; Q6NZY0; Q6PX59; Q8NBE6; Q96IF2; Q9H7S0

Background:

The U5 small nuclear ribonucleoprotein 200 kDa helicase, also known as Activating signal cointegrator 1 complex subunit 3-like 1, BRR2 homolog, and U5 snRNP-specific 200 kDa protein, plays a pivotal role in pre-mRNA splicing. It catalyzes the ATP-dependent unwinding of U4/U6 RNA duplexes, a crucial step in spliceosome assembly, activation, and disassembly. This protein is a core component of precatalytic, catalytic, and postcatalytic spliceosomal complexes, involved in the dynamic network of RNA-RNA interactions.

Therapeutic significance:

Given its essential role in pre-mRNA splicing and association with Retinitis pigmentosa 33, understanding the function of U5 small nuclear ribonucleoprotein 200 kDa helicase could unveil novel therapeutic strategies for treating this retinal dystrophy. Targeting the spliceosomal machinery offers a promising avenue for drug discovery in genetic disorders.

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