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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


Our high-tech, dedicated method is applied to construct targeted 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.


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
P20264

UPID:
PO3F3_HUMAN

ALTERNATIVE NAMES:
Brain-specific homeobox/POU domain protein 1; Octamer-binding protein 8; Octamer-binding transcription factor 8

ALTERNATIVE UPACC:
P20264; P78379; Q4ZG25

BACKGROUND:
The protein POU domain, class 3, transcription factor 3, with alternative names such as Brain-specific homeobox/POU domain protein 1, plays a crucial role in the development of neuronal systems. It functions in concert with SOX11 and SOX4, contributing to the enhancer activity crucial for brain development.

THERAPEUTIC SIGNIFICANCE:
Linked to the development of Snijders Blok-Fisher syndrome, POU3F3's involvement in this autosomal dominant neurodevelopmental disorder highlights its potential as a target for therapeutic intervention. Exploring POU3F3's function could lead to novel treatments for affected individuals.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.