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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P33897
UPID:
ABCD1_HUMAN
Alternative names:
Adrenoleukodystrophy protein
Alternative UPACC:
P33897; Q6GTZ2
Background:
The ATP-binding cassette sub-family D member 1, also known as the Adrenoleukodystrophy protein, plays a crucial role in the transport of very long chain fatty acids (VLCFAs) into the peroxisome. This process is vital for the degradation and biosynthesis of fatty acids, impacting energy metabolism, mitochondrial function, and myelin maintenance.
Therapeutic significance:
Adrenoleukodystrophy, a peroxisomal metabolic disorder, is directly linked to mutations in the gene encoding this protein. Understanding its function and the pathogenesis of Adrenoleukodystrophy opens avenues for developing targeted therapies, potentially improving outcomes for patients with this debilitating condition.