Focused On-demand Library for Phospholipid-transporting ATPase ABCA7

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

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.