AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for ATP-binding cassette sub-family A member 2

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

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

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9BZC7

UPID:

ABCA2_HUMAN

Alternative names:

ATP-binding cassette transporter 2

Alternative UPACC:

Q9BZC7; A6NED5; Q5SPY5; Q5W9G5; Q76MW7; Q9HC28

Background:

ATP-binding cassette sub-family A member 2, also known as ATP-binding cassette transporter 2, plays a crucial role in lipid transport, influencing cholesterol sequestration and sphingolipid metabolism in late endosomes/lysosomes. This protein is instrumental in maintaining cholesterol homeostasis and modulating amyloid-beta production, which is pivotal in neurodegenerative diseases. Its involvement in myelin formation suggests a broader significance in neural function and development.

Therapeutic significance:

The protein's link to Intellectual developmental disorder with poor growth and with or without seizures or ataxia highlights its therapeutic potential. Understanding the role of ATP-binding cassette sub-family A member 2 could open doors to potential therapeutic strategies, especially in targeting lipid metabolism disorders and neurodegenerative diseases.

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