Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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.
Our top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9Y303
UPID:
NAGA_HUMAN
Alternative names:
Amidohydrolase domain-containing protein 2
Alternative UPACC:
Q9Y303; B4DL77; Q8WV54
Background:
N-acetylglucosamine-6-phosphate deacetylase, also known as Amidohydrolase domain-containing protein 2, plays a crucial role in the N-glycolylneuraminic acid (Neu5Gc) degradation pathway. It specifically hydrolyzes the N-glycolyl group from N-glycolylglucosamine 6-phosphate (GlcNGc-6-P), a vital process for Neu5Gc degradation. Despite humans' inability to synthesize Neu5Gc due to the inactive CMAHP enzyme, Neu5Gc enters the human body through dietary sources, necessitating its degradation.
Therapeutic significance:
Understanding the role of N-acetylglucosamine-6-phosphate deacetylase could open doors to potential therapeutic strategies. Its pivotal function in the Neu5Gc degradation pathway highlights its importance in metabolic processes, suggesting that modulation of its activity could have therapeutic implications.