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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


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
P78363

UPID:
ABCA4_HUMAN

ALTERNATIVE NAMES:
ATP-binding cassette sub-family A member 4; RIM ABC transporter; Retinal-specific ATP-binding cassette transporter; Stargardt disease protein

ALTERNATIVE UPACC:
P78363; O15112; O60438; O60915; Q0QD48; Q4LE31

BACKGROUND:
ABCA4, a key player in the visual cycle, facilitates the transport of retinal compounds across photoreceptor membranes, preventing toxic accumulations. Its alternative names include ATP-binding cassette sub-family A member 4 and Retinal-specific ATP-binding cassette transporter, underscoring its specificity to the retina.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of ABCA4 could open doors to potential therapeutic strategies for retinal dystrophies such as Stargardt disease and age-related macular degeneration. Its critical function in eye health makes it a prime target for developing novel treatments aimed at preserving vision.

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.