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.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q71RH2
UPID:
TLC3B_HUMAN
Alternative names:
Protein FAM57B; TLC domain-containing protein 3B
Alternative UPACC:
Q71RH2; Q9H0J1
Background:
Ceramide synthase, also known as Protein FAM57B or TLC domain-containing protein 3B, plays a crucial role in ceramide synthesis. Ceramides are sphingolipids that contribute to cellular signaling and membrane structure. The protein's alternative names highlight its functional diversity and structural uniqueness within cellular processes.
Therapeutic significance:
Ceramide synthase's involvement in Cone-rod dystrophy 22, a retinal degenerative disease, underscores its potential as a therapeutic target. Understanding the role of Ceramide synthase could open doors to potential therapeutic strategies for treating visual impairments.