Focused On-demand Library for YY1-associated protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Q9H869

UPID:

YYAP1_HUMAN

Alternative names:

Hepatocellular carcinoma susceptibility protein; Hepatocellular carcinoma-associated protein 2

Alternative UPACC:

Q9H869; B0QZ54; B4DMP2; B4E0I0; D3DV96; D3DV98; H7BY62; Q5VYZ1; Q5VYZ4; Q5VYZ7; Q7L4C3; Q7L5E2; Q8IXA6; Q8TEW5; Q8TF04; Q96HB6; Q9BQ64; Q9NV84

Background:

YY1-associated protein 1, also known as Hepatocellular carcinoma susceptibility protein and Hepatocellular carcinoma-associated protein 2, plays a pivotal role in cellular processes. It is part of the INO80 chromatin remodeling complex, contributing to transcriptional regulation, DNA repair, and replication. Additionally, it enhances transcription activation by YY1 and is involved in cell cycle regulation.

Therapeutic significance:

Grange syndrome, a disease characterized by multiple artery stenosis or occlusion, congenital heart defects, and learning disabilities, is linked to variants affecting YY1-associated protein 1. Understanding the role of YY1-associated protein 1 could open doors to potential therapeutic strategies for this complex condition.