Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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:
partner
Reaxense
upacc
Q9UJ70
UPID:
NAGK_HUMAN
Alternative names:
GlcNAc kinase; Muramyl dipeptide kinase; N-acetyl-D-mannosamine kinase
Alternative UPACC:
Q9UJ70; B4DLZ5; Q53HD5; Q6IA84; Q9BS29; Q9BVP0; Q9NV37
Background:
N-acetyl-D-glucosamine kinase, also known as GlcNAc kinase, plays a crucial role in cellular metabolism by converting GlcNAc into GlcNAc 6-phosphate. This enzyme is pivotal in the degradation pathway of N-glycolylneuraminic acid (Neu5Gc), a dietary component humans cannot synthesize. Additionally, it exhibits N-acetylmannosamine (ManNAc) kinase activity and is involved in innate immunity by catalyzing the phosphorylation of muramyl dipeptide, enhancing bacterial detection.
Therapeutic significance:
Understanding the role of N-acetyl-D-glucosamine kinase could open doors to potential therapeutic strategies. Its involvement in innate immunity and metabolic pathways underscores its potential as a target for developing treatments aimed at enhancing disease resistance and correcting metabolic disorders.