AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Transcriptional repressor protein YY1

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.

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 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 use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's 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.

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