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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Our top-notch dedicated system is used to design specialised 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
Q8WUD6
UPID:
CHPT1_HUMAN
Alternative names:
AAPT1-like protein; Diacylglycerol cholinephosphotransferase 1
Alternative UPACC:
Q8WUD6; B3KQM2; Q7Z7H0; Q7Z7H1; Q7Z7H2; Q8IWQ4; Q8IWQ5; Q8WYI4; Q9NRQ6; Q9NRQ7; Q9Y6M6
Background:
Cholinephosphotransferase 1, also known as Diacylglycerol cholinephosphotransferase 1 and AAPT1-like protein, is pivotal in phosphatidylcholine (PC) synthesis. It catalyzes the transfer of choline phosphate to diacylglycerol (DAG), producing PC, essential for vesicular membrane formation and maintenance.
Therapeutic significance:
Understanding the role of Cholinephosphotransferase 1 could open doors to potential therapeutic strategies.