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.
We employ our advanced, specialised process to create targeted 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P49585
UPID:
PCY1A_HUMAN
Alternative names:
CCT-alpha; CTP:phosphocholine cytidylyltransferase A; Phosphorylcholine transferase A
Alternative UPACC:
P49585; A9LYK9; D3DXB1; Q86Y88
Background:
Choline-phosphate cytidylyltransferase A, also known as CCT-alpha, plays a pivotal role in the CDP-choline pathway, crucial for phosphatidylcholine biosynthesis. This enzyme's activity is essential for maintaining cellular membrane integrity and facilitating lipid metabolism.
Therapeutic significance:
The enzyme's mutation is linked to Spondylometaphyseal dysplasia with cone-rod dystrophy, a disorder marked by growth deficiency and visual impairment. Understanding the role of Choline-phosphate cytidylyltransferase A could open doors to potential therapeutic strategies.