Focused On-demand Library for Alkaline ceramidase 3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create 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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.