Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q86VZ5
UPID:
SMS1_HUMAN
Alternative names:
Medulla oblongata-derived protein; Sphingomyelin synthase 1; Transmembrane protein 23
Alternative UPACC:
Q86VZ5; D3DWC4; Q68U43; Q6EKK0; Q75SP1
Background:
Phosphatidylcholine:ceramide cholinephosphotransferase 1, also known as Sphingomyelin synthase 1, plays a pivotal role at the Golgi apparatus. It catalyzes the reversible transfer of phosphocholine in sphingomyelin biosynthesis, influencing the balance between ceramide, sphingomyelin, and diacylglycerol. This balance is crucial for cell signaling, including mitogenic and proapoptotic pathways, and for the structural integrity of membrane rafts, which are essential for signal transduction and protein sorting.
Therapeutic significance:
Understanding the role of Phosphatidylcholine:ceramide cholinephosphotransferase 1 could open doors to potential therapeutic strategies.