Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9Y5K3
UPID:
PCY1B_HUMAN
Alternative names:
CCT-beta; CTP:phosphocholine cytidylyltransferase B; Phosphorylcholine transferase B
Alternative UPACC:
Q9Y5K3; A8IX00; B2RCX8; B4DK10; E9PD84; O60621; Q86XC9
Background:
Choline-phosphate cytidylyltransferase B, known by alternative names such as CCT-beta and Phosphorylcholine transferase B, plays a pivotal role in phosphatidylcholine biosynthesis through the CDP-choline pathway. This enzyme catalyzes a crucial rate-limiting step, underscoring its importance in cellular membrane formation and maintenance.
Therapeutic significance:
Understanding the role of Choline-phosphate cytidylyltransferase B could open doors to potential therapeutic strategies. Its central function in phospholipid metabolism suggests its potential impact on disorders related to membrane dynamics and lipid imbalances.