Focused On-demand Library for Sialidase-2

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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:

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

Q9Y3R4

UPID:

NEUR2_HUMAN

Alternative names:

Cytosolic sialidase; N-acetyl-alpha-neuraminidase 2

Alternative UPACC:

Q9Y3R4; Q3KNW4; Q6NTB4

Background:

Sialidase-2, also known as cytosolic sialidase or N-acetyl-alpha-neuraminidase 2, plays a crucial role in the catabolism of glycolipids, glycoproteins, and oligosaccharides. It specifically catalyzes the hydrolytic cleavage of terminal sialic acids, displaying a preference for certain sialylated gangliosides. This enzyme's activity varies based on the sialyl linkage positions and the supramolecular organization of sialoglycoconjugates.

Therapeutic significance:

Understanding the role of Sialidase-2 could open doors to potential therapeutic strategies. Its specific enzymatic function in the metabolism of sialoglycoconjugates suggests a foundational role in cellular processes, hinting at its potential as a target in therapeutic interventions.