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.
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 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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9UBJ2
UPID:
ABCD2_HUMAN
Alternative names:
Adrenoleukodystrophy-like 1; Adrenoleukodystrophy-related protein
Alternative UPACC:
Q9UBJ2; B2RAM3; Q13210; Q2M3H9
Background:
ATP-binding cassette sub-family D member 2 (ABCD2) is a pivotal protein in cellular metabolism, facilitating the transport of very long chain fatty acids (VLCFAs) into peroxisomes for beta-oxidation. It shares substrate specificities with ABCD1 but uniquely prefers shorter VLCFAs and polyunsaturated fatty acids, highlighting its specialized role in fatty acid regulation and energy metabolism.
Therapeutic significance:
Understanding the role of ATP-binding cassette sub-family D member 2 could open doors to potential therapeutic strategies.