Focused On-demand Library for Sialidase-3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q9UQ49

UPID:

NEUR3_HUMAN

Alternative names:

Ganglioside sialidasedis; Membrane sialidase; N-acetyl-alpha-neuraminidase 3

Alternative UPACC:

Q9UQ49; A8K327; Q9NQE1

Background:

Sialidase-3, also known as Ganglioside sialidase, Membrane sialidase, and N-acetyl-alpha-neuraminidase 3, is a crucial enzyme in the catabolism of glycolipids, glycoproteins, and oligosaccharides. It efficiently catalyzes the hydrolytic cleavage of terminal sialic acids, particularly impacting gangliosides such as GD1a, GM3, and GD3. This enzyme plays a pivotal role in cellular processes by modulating the ganglioside content of lipid bilayers and interacting directly with signaling receptors like EGFR, thereby influencing transmembrane signaling and receptor endocytosis.

Therapeutic significance:

Understanding the role of Sialidase-3 could open doors to potential therapeutic strategies. Its involvement in the regulation of key cellular processes, such as EGFR-mediated signaling and receptor trafficking, highlights its potential as a target in diseases where these pathways are dysregulated.