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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q99519
UPID:
NEUR1_HUMAN
Alternative names:
Acetylneuraminyl hydrolase; G9 sialidase; Lysosomal sialidase; N-acetyl-alpha-neuraminidase 1
Alternative UPACC:
Q99519
Background:
Sialidase-1, also known as Acetylneuraminyl hydrolase, plays a crucial role in cellular function by catalyzing the removal of sialic acid from glycoproteins and glycolipids. This enzyme, requiring a multienzyme complex for activity, shows a preference for alpha 2-3 and alpha 2-6 sialyl linkages, indicating its specificity in biological processes.
Therapeutic significance:
Sialidase-1 is implicated in Sialidosis, a lysosomal storage disease with severe manifestations ranging from visual loss to intellectual disability. Understanding the role of Sialidase-1 could open doors to potential therapeutic strategies, offering hope for targeted treatments in lysosomal storage disorders.