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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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
Q9Y3R4
UPID:
NEUR2_HUMAN
Alternative names:
Cytosolic sialidase; N-acetyl-alpha-neuraminidase 2
Alternative UPACC:
Q9Y3R4; Q3KNW4; Q6NTB4
Background:
Sialidase-2, also known as cytosolic sialidase or N-acetyl-alpha-neuraminidase 2, plays a crucial role in the catabolism of glycolipids, glycoproteins, and oligosaccharides. It specifically catalyzes the hydrolytic cleavage of terminal sialic acids, displaying a preference for certain sialylated gangliosides. This enzyme's activity varies based on the sialyl linkage positions and the supramolecular organization of sialoglycoconjugates.
Therapeutic significance:
Understanding the role of Sialidase-2 could open doors to potential therapeutic strategies. Its specific enzymatic function in the metabolism of sialoglycoconjugates suggests a foundational role in cellular processes, hinting at its potential as a target in therapeutic interventions.