Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q13510
UPID:
ASAH1_HUMAN
Alternative names:
Acylsphingosine deacylase; N-acylethanolamine hydrolase ASAH1; N-acylsphingosine amidohydrolase; Putative 32 kDa heart protein
Alternative UPACC:
Q13510; E9PDS0; Q6W898; Q96AS2
Background:
Acid ceramidase, known by alternative names such as Acylsphingosine deacylase and N-acylsphingosine amidohydrolase, plays a pivotal role in the metabolism of sphingolipids. It hydrolyzes ceramides into sphingosine and free fatty acids, crucial for cell signaling pathways that regulate proliferation, apoptosis, and differentiation. This enzyme exhibits higher efficiency towards C12-ceramides and is involved in the synthesis of ceramides from fatty acids and sphingosine.
Therapeutic significance:
Acid ceramidase is linked to Farber lipogranulomatosis, a lysosomal storage disorder, and spinal muscular atrophy with progressive myoclonic epilepsy, highlighting its therapeutic potential. Targeting this protein could lead to novel treatments for these debilitating diseases.