AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Alkaline ceramidase 3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q9NUN7

UPID:

ACER3_HUMAN

Alternative names:

Alkaline dihydroceramidase SB89; Alkaline phytoceramidase

Alternative UPACC:

Q9NUN7; B2RC99

Background:

Alkaline ceramidase 3, also known as Alkaline dihydroceramidase SB89 and Alkaline phytoceramidase, plays a crucial role in lipid metabolism. It catalyzes the hydrolysis of various ceramides into sphingosine and free fatty acids, pivotal components in cell signaling pathways that regulate cell proliferation, apoptosis, and differentiation. This enzyme is essential for maintaining ceramide and sphingosine-1-phosphate balance in the brain, influencing neuron survival and function.

Therapeutic significance:

The involvement of Alkaline ceramidase 3 in leukodystrophy, a disorder affecting myelin production in the central nervous system, underscores its therapeutic potential. Understanding the role of Alkaline ceramidase 3 could open doors to potential therapeutic strategies for treating neurological regression and other symptoms associated with this condition.

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