Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening 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.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
Q68CP9

UPID:
ARID2_HUMAN

ALTERNATIVE NAMES:
BRG1-associated factor 200; Zinc finger protein with activation potential; Zipzap/p200

ALTERNATIVE UPACC:
Q68CP9; Q15KG9; Q5EB51; Q645I3; Q6ZRY5; Q7Z3I5; Q86T28; Q96SJ6; Q9HCL5

BACKGROUND:
The AT-rich interactive domain-containing protein 2, with alternative names such as Zinc finger protein with activation potential, is integral to gene expression regulation. By altering DNA-nucleosome topology, it plays a key role in the transcriptional activation and repression of genes, crucial for cardiac gene expression and chromatin remodeling complex stability.

THERAPEUTIC SIGNIFICANCE:
Linked to Coffin-Siris syndrome 6, a disorder marked by developmental anomalies and intellectual disability, the protein's involvement underscores the potential for targeted therapeutic interventions. Exploring the functions of AT-rich interactive domain-containing protein 2 could lead to breakthroughs in treatment strategies for related genetic disorders.

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