Focused On-demand Library for Neutral ceramidase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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.

Our high-tech, dedicated method is applied to construct targeted 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:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.