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 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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NR71
UPID:
ASAH2_HUMAN
Alternative names:
Acylsphingosine deacylase 2; BCDase; LCDase; N-acylsphingosine amidohydrolase 2; Non-lysosomal ceramidase
Alternative UPACC:
Q9NR71; Q3KNU1; Q5SNT7; Q5SZP6; Q5SZP7; Q5T1D5; Q71ME6
Background:
Neutral ceramidase, known by alternative names such as Acylsphingosine deacylase 2 and Non-lysosomal ceramidase, plays a pivotal role in sphingolipid metabolism. It hydrolyzes ceramides into sphingosine and free fatty acids, crucial for cell signaling pathways that regulate proliferation, apoptosis, and differentiation. This enzyme also facilitates the synthesis of ceramides, contributing to the dynamic balance of sphingolipid levels in the plasma membrane.
Therapeutic significance:
Understanding the role of Neutral ceramidase could open doors to potential therapeutic strategies. Its involvement in key cellular processes underscores its potential as a target for modulating disease mechanisms related to sphingolipid metabolism.