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 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.
Our top-notch dedicated system is used to design specialised 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
P23743
UPID:
DGKA_HUMAN
Alternative names:
80 kDa diacylglycerol kinase; Diglyceride kinase alpha
Alternative UPACC:
P23743; O75481; O75482; O75483; O95217; Q3ZE25; Q8IZ56; Q8N5Q2
Background:
Diacylglycerol kinase alpha, known as an 80 kDa diacylglycerol kinase or Diglyceride kinase alpha, plays a pivotal role in cellular signaling by converting diacylglycerol (DAG) into phosphatidic acid (PA). This conversion regulates the balance between DAG and PA, two bioactive lipids with opposing functions in numerous biological processes. The enzyme's activity extends to the biosynthesis of complex lipids and the production of bioactive alkyl-lysophosphatidic acid.
Therapeutic significance:
Understanding the role of Diacylglycerol kinase alpha could open doors to potential therapeutic strategies.