AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for RuvB-like 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.

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 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

Q9Y265

UPID:

RUVB1_HUMAN

Alternative names:

49 kDa TATA box-binding protein-interacting protein; 54 kDa erythrocyte cytosolic protein; INO80 complex subunit H; Nuclear matrix protein 238; Pontin 52; TIP49a; TIP60-associated protein 54-alpha

Alternative UPACC:

Q9Y265; B2R5S0; P82276; Q1KMR0; Q53HK5; Q53HL7; Q53Y27; Q9BSX9

Background:

RuvB-like 1, known by alternative names such as TIP49a and Pontin 52, is a multifunctional protein involved in DNA repair, transcriptional activation, and cell proliferation. It exhibits ATPase and DNA helicase activities, essential for its role in the NuA4 histone acetyltransferase complex, contributing to the acetylation of nucleosomal histones H4 and H2A. This modification facilitates transcriptional activation and DNA repair. Additionally, RuvB-like 1 is a core component of the INO80 complex, playing a crucial role in nucleosome remodeling.

Therapeutic significance:

Understanding the role of RuvB-like 1 could open doors to potential therapeutic strategies.

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