Focused On-demand Library for Transcriptional repressor protein YY1

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 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.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

P25490

UPID:

TYY1_HUMAN

Alternative names:

Delta transcription factor; INO80 complex subunit S; NF-E1; Yin and yang 1

Alternative UPACC:

P25490; Q14935

Background:

Transcriptional repressor protein YY1, also known as Delta transcription factor, plays a pivotal role in gene expression regulation. It functions both as a repressor and activator, influencing cellular and viral genes by binding to specific DNA sequences. Its activity is modulated by various transcription factors and proteins, impacting processes like DNA repair, development, and differentiation. YY1's involvement in the chromatin remodeling INO80 complex highlights its significance in transcriptional regulation and DNA repair.

Therapeutic significance:

Gabriele-de Vries syndrome, a neurodevelopmental disorder with delayed development and intellectual disability, is linked to mutations affecting YY1. Understanding the role of Transcriptional repressor protein YY1 could open doors to potential therapeutic strategies for this syndrome and other related conditions.