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. Our collaborator, Reaxense, aids in their synthesis and provision.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8N139
UPID:
ABCA6_HUMAN
Alternative names:
-
Alternative UPACC:
Q8N139; Q6NSH9; Q8N856; Q8WWZ6
Background:
ATP-binding cassette sub-family A member 6 (ABCA6) is identified as a probable transporter, playing a pivotal role in macrophage lipid transport and homeostasis. This protein is part of the ATP-binding cassette (ABC) transporters, a large family of proteins that transport various molecules across extra- and intra-cellular membranes.
Therapeutic significance:
Understanding the role of ATP-binding cassette sub-family A member 6 could open doors to potential therapeutic strategies.