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.
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.
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
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
Q8TDN7
UPID:
ACER1_HUMAN
Alternative names:
Acylsphingosine deacylase 3; N-acylsphingosine amidohydrolase 3
Alternative UPACC:
Q8TDN7
Background:
Alkaline ceramidase 1, also known as Acylsphingosine deacylase 3 or N-acylsphingosine amidohydrolase 3, plays a pivotal role in lipid metabolism. It catalyzes the hydrolysis of ceramides into sphingosine and free fatty acids, crucial components in cellular signaling pathways that regulate cell proliferation, apoptosis, and differentiation. This enzyme exhibits specificity towards ceramides with D-erythro-sphingosine backbones and prefers very long-chain unsaturated fatty acids, such as C24:1-ceramide. Additionally, ACER1 is a skin-specific ceramidase vital for skin homeostasis, mediating calcium-induced differentiation of epidermal keratinocytes.
Therapeutic significance:
Understanding the role of Alkaline ceramidase 1 could open doors to potential therapeutic strategies, especially in skin-related conditions and disorders involving lipid metabolism.