AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Retinal-specific phospholipid-transporting ATPase ABCA4

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

Reaxense

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:

The Retinal-specific phospholipid-transporting ATPase ABCA4 plays a crucial role in visual processes, catalyzing the ATP-dependent transport of retinal-phosphatidylethanolamine conjugates. This action is vital for converting visual signals into neural signals, a process essential for sight. Known also as Stargardt disease protein, its malfunction is linked to several retinal diseases.

Therapeutic significance:

ABCA4's involvement in diseases like Stargardt disease 1, Fundus flavimaculatus, and age-related Macular degeneration, highlights its therapeutic potential. Targeting ABCA4 could lead to breakthrough treatments for these conditions, offering hope for patients suffering from vision loss.

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