Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


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 utilise our cutting-edge, exclusive workflow to develop 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.


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
P55201

UPID:
BRPF1_HUMAN

ALTERNATIVE NAMES:
Bromodomain and PHD finger-containing protein 1; Protein Br140

ALTERNATIVE UPACC:
P55201; B4DEZ6; Q7Z6E0; Q8TCM6; Q9UHI0

BACKGROUND:
The protein Peregrin, known alternatively as Protein Br140, is integral to the function of histone acetyltransferase (HAT) complexes like MOZ/MORF and HBO1, targeting histone H3 'Lys-14' acetylation. This acetylation is essential for the transcriptional regulation of genes critical for development and cellular function, including RUNX1 and RUNX2.

THERAPEUTIC SIGNIFICANCE:
Given Peregrin's involvement in Intellectual developmental disorder with dysmorphic facies and ptosis, its study offers a promising avenue for the development of novel therapeutic interventions. Understanding the role of Peregrin could open doors to potential therapeutic strategies.

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