Focused On-demand Library for Fucose mutarotase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

A2VDF0

UPID:

FUCM_HUMAN

Alternative names:

Alternative UPACC:

A2VDF0; A1L300; Q5VWY2; Q5VWY3; Q6ZPD2

Background:

Fucose mutarotase plays a pivotal role in the interconversion of alpha- and beta-L-fucoses, crucial components in cellular communication and metabolism. This enzyme facilitates the transformation of L-fucose, a key sugar in the synthesis of glycoproteins and glycolipids, which are essential for cell-cell adhesion and recognition processes.

Therapeutic significance:

Understanding the role of Fucose mutarotase could open doors to potential therapeutic strategies. Its involvement in the synthesis of fucosylated structures, which are critical in numerous biological processes, highlights its potential as a target for therapeutic intervention in diseases where cell-cell communication is disrupted.