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 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O15228
UPID:
GNPAT_HUMAN
Alternative names:
Acyl-CoA:dihydroxyacetonephosphateacyltransferase; Glycerone-phosphate O-acyltransferase
Alternative UPACC:
O15228; B4DNM9; Q5TBH7; Q9BWC2
Background:
Dihydroxyacetone phosphate acyltransferase, also known as Acyl-CoA:dihydroxyacetonephosphate acyltransferase or Glycerone-phosphate O-acyltransferase, plays a crucial role in plasmalogen biosynthesis. This enzyme's activity is pivotal in the formation of plasmalogens, which are a major class of phospholipids in the heart and brain.
Therapeutic significance:
The enzyme's dysfunction is linked to Rhizomelic chondrodysplasia punctata 2, a condition marked by severe skeletal abnormalities, intellectual disability, and other systemic issues. Targeting this enzyme could lead to novel treatments for this debilitating disease.