Focused On-demand Libraries - Receptor.AI 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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
P0C5Z0

UPID:
H2AB2_HUMAN

ALTERNATIVE NAMES:
H2A Barr body-deficient

ALTERNATIVE UPACC:
P0C5Z0; A1L4E4; P98176; Q5TZB2; Q6FG78; Q96PR7

BACKGROUND:
The Histone H2A-Bbd type 2/3, known for its unique ability to replace conventional H2A histones, is integral to the regulation of gene expression. This variant histone is linked with active transcription and is essential for the proper organization of chromatin, facilitating DNA accessibility for transcription, repair, and replication processes. It is enriched in actively transcribed genes, associates with RNA polymerase during elongation, and plays a crucial role in mRNA splicing. Its involvement in organizing less DNA than canonical nucleosomes and its association with spliceosome components underscore its importance in gene expression regulation.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Histone H2A-Bbd type 2/3 could open doors to potential therapeutic strategies.

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