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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8WWR8
UPID:
NEUR4_HUMAN
Alternative names:
N-acetyl-alpha-neuraminidase 4
Alternative UPACC:
Q8WWR8; A8K056; J3KNJ5; Q96D64
Background:
Sialidase-4, also known as N-acetyl-alpha-neuraminidase 4, plays a crucial role in the catabolism of glycolipids, glycoproteins, and oligosaccharides. It catalyzes the hydrolytic cleavage of terminal sialic acids, impacting various biological processes including cell adhesion and neurite outgrowth. Its activity on gangliosides and sialylated antigens like sialyl Lewis A and X modulates cell surface interactions and signaling.
Therapeutic significance:
Understanding the role of Sialidase-4 could open doors to potential therapeutic strategies. Its involvement in modulating cell surface glycan epitopes and neurite outgrowth suggests its potential in targeting diseases where these processes are dysregulated.