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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 high-tech, dedicated method is applied to construct 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8N0W3
UPID:
FCSK_HUMAN
Alternative names:
-
Alternative UPACC:
Q8N0W3; Q5PSM3; Q5XKL6; Q6ZRA0; Q96MT9
Background:
L-fucose kinase plays a crucial role in the salvage pathway, enabling the reutilization of fucose from the degradation of oligosaccharides. This enzyme's activity is pivotal in the complex process of glycoprotein biosynthesis, which is fundamental for proper cellular function and development.
Therapeutic significance:
The enzyme is linked to Congenital disorder of glycosylation with defective fucosylation 2, a severe condition marked by developmental, neurological, and immunological deficits. Understanding the role of L-fucose kinase could open doors to potential therapeutic strategies, offering hope for targeted treatments that could alleviate or even prevent the debilitating effects of this disorder.