Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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
Receptor.AI
 
UPACC
Q8WXI9

UPID:
P66B_HUMAN

ALTERNATIVE NAMES:
GATA zinc finger domain-containing protein 2B; p66/p68

ALTERNATIVE UPACC:
Q8WXI9; D3DUZ2; Q5VUR2; Q7LG68; Q9ULS0

BACKGROUND:
The protein p66-beta, alternatively known as GATA zinc finger domain-containing protein 2B, functions as a transcriptional repressor within the NuRD complex, influencing chromatin structure and gene expression. Its interaction with GATAD2A and MBD2 underscores its regulatory significance in gene silencing and its potential impact on synaptic development.

THERAPEUTIC SIGNIFICANCE:
Given its association with Gand syndrome, characterized by developmental and intellectual challenges, the study of p66-beta offers promising avenues for therapeutic exploration. Understanding the role of p66-beta could open doors to potential therapeutic strategies for managing and treating this syndrome.

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