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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P48651
UPID:
PTSS1_HUMAN
Alternative names:
Serine-exchange enzyme I
Alternative UPACC:
P48651; B4DE85; E5RFC5; Q9BUQ5
Background:
Phosphatidylserine synthase 1, also known as Serine-exchange enzyme I, plays a crucial role in cellular membrane composition and function. It catalyzes the base-exchange reaction, primarily converting phosphatidylcholine to phosphatidylserine, a key process in membrane dynamics and signaling pathways.
Therapeutic significance:
The protein's involvement in Lenz-Majewski hyperostotic dwarfism, a syndrome marked by intellectual disability and skeletal anomalies, underscores its potential as a therapeutic target. Understanding the role of Phosphatidylserine synthase 1 could open doors to potential therapeutic strategies.