Focused On-demand Library for Lactosylceramide alpha-2,3-sialyltransferase

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.

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

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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9UNP4

UPID:

SIAT9_HUMAN

Alternative names:

CMP-NeuAc:lactosylceramide alpha-2,3-sialyltransferase; GM3 synthase; Ganglioside GM3 synthase; ST3Gal V; Sialyltransferase 9

Alternative UPACC:

Q9UNP4; B3KM82; D6W5L9; O94902; Q53QU1; Q6NZX4; Q6YFL1

Background:

Lactosylceramide alpha-2,3-sialyltransferase, also known as GM3 synthase, plays a pivotal role in the biosynthesis of gangliosides. Gangliosides are crucial for cell proliferation, differentiation, apoptosis, embryogenesis, development, and oncogenesis. This enzyme primarily facilitates the formation of ganglioside GM3, a key molecule in cellular processes, by transferring the sialyl group to glycosphingolipids.

Therapeutic significance:

The enzyme's malfunction is linked to Salt and pepper developmental regression syndrome, a rare autosomal recessive disorder characterized by severe seizures, developmental delays, and sensory impairments. Understanding the role of Lactosylceramide alpha-2,3-sialyltransferase could open doors to potential therapeutic strategies for this debilitating condition.