AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Phospholipid-transporting ATPase ABCA7

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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.

Our top-notch dedicated system is used to design specialised 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

Q8IZY2

UPID:

ABCA7_HUMAN

Alternative names:

ABCA-SSN; ATP-binding cassette sub-family A member 7; Autoantigen SS-N; Macrophage ABC transporter

Alternative UPACC:

Q8IZY2; Q96S58; Q9BZC4; Q9NR73; Q9UKP8

Background:

Phospholipid-transporting ATPase ABCA7, also known as ATP-binding cassette sub-family A member 7, plays a crucial role in lipid homeostasis, macrophage-mediated phagocytosis, and cholesterol efflux. It is involved in the translocation of specific phospholipids across membranes, preferentially transporting phosphatidylserine. ABCA7's interaction with APOA1 influences apolipoprotein-mediated phospholipid efflux and regulates cellular ceramide homeostasis, essential for keratinocyte differentiation.

Therapeutic significance:

ABCA7's involvement in Alzheimer disease 9, characterized by progressive dementia and amyloid-beta deposition, highlights its therapeutic significance. Its role in lipid raft organization and the phagocytic clearance of amyloid-beta by microglia suggests that targeting ABCA7 could offer novel strategies for Alzheimer's treatment and prevention.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.
No Spam. Cancel Anytime.