Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q6ICH7
UPID:
ASPH2_HUMAN
Alternative names:
-
Alternative UPACC:
Q6ICH7; B2RCH3; Q7L0W3; Q9NSN3
Background:
Aspartate beta-hydroxylase domain-containing protein 2, identified by the accession number Q6ICH7, plays a crucial role in cellular processes as a 2-oxoglutarate-dependent dioxygenase. This enzyme's activity is pivotal in the hydroxylation of specific substrates, a modification that can affect protein function and interactions significantly.
Therapeutic significance:
Understanding the role of Aspartate beta-hydroxylase domain-containing protein 2 could open doors to potential therapeutic strategies. Its enzymatic function suggests a broad impact on cellular metabolism and signaling pathways, making it a compelling target for drug discovery efforts aimed at modulating its activity for therapeutic benefits.