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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P51688
UPID:
SPHM_HUMAN
Alternative names:
Sulfoglucosamine sulfamidase; Sulphamidase
Alternative UPACC:
P51688; A8K5E2
Background:
N-sulphoglucosamine sulphohydrolase, also known as sulfoglucosamine sulfamidase or sulphamidase, plays a crucial role in the lysosomal degradation of heparan sulfate. This enzyme's activity is pivotal for the breakdown and recycling of glycosaminoglycans, complex molecules involved in various biological processes.
Therapeutic significance:
The enzyme's deficiency is directly linked to Mucopolysaccharidosis 3A (MPS3A), a severe neurological disorder. Understanding the role of N-sulphoglucosamine sulphohydrolase could open doors to potential therapeutic strategies aimed at treating or managing MPS3A, offering hope for patients and families affected by this devastating condition.