Focused On-demand Library for 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted 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

Q9Y231

UPID:

FUT9_HUMAN

Alternative names:

Fucosyltransferase 9; Fucosyltransferase IX; Galactoside 3-L-fucosyltransferase

Alternative UPACC:

Q9Y231; Q5T0W4

Background:

4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, also known as Fucosyltransferase 9, plays a crucial role in the biosynthesis of glycoproteins and glycolipids. It catalyzes the transfer of L-fucose to N-acetyl glucosamine of glycoprotein or glycolipid-linked polylactosamine chains, contributing to cell differentiation, adhesion, and neurite outgrowth. This enzyme is pivotal in synthesizing Lewis x and sLex epitopes, enhancing cell rolling and adhesion.

Therapeutic significance:

Understanding the role of 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 could open doors to potential therapeutic strategies.