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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
O00462
UPID:
MANBA_HUMAN
Alternative names:
Lysosomal beta A mannosidase; Mannanase
Alternative UPACC:
O00462; Q96BC3; Q9NYX9
Background:
Beta-mannosidase, also known as Lysosomal beta A mannosidase or Mannanase, plays a crucial role in glycoprotein catabolism. It is an exoglycosidase that targets the single beta-linked mannose residue on the non-reducing end of all N-linked glycoprotein oligosaccharides, a process essential for cellular function and health.
Therapeutic significance:
Mannosidosis, beta A, lysosomal, a disease linked to Beta-mannosidase, manifests through a spectrum of neurological symptoms due to reduced enzyme activity. Understanding the role of Beta-mannosidase could open doors to potential therapeutic strategies for this lysosomal storage disease.