Focused On-demand Library for Fucose mutarotase

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises 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.