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.
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.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q01432
UPID:
AMPD3_HUMAN
Alternative names:
AMP deaminase isoform E; Erythrocyte AMP deaminase
Alternative UPACC:
Q01432; A0AUX0; B7Z2S2; B7Z763; B7Z877
Background:
AMP deaminase 3, also known as erythrocyte AMP deaminase, plays a pivotal role in energy metabolism. This enzyme, identified by the alternative names AMP deaminase isoform E and erythrocyte AMP deaminase, is crucial for the proper functioning of cellular processes.
Therapeutic significance:
The enzyme's deficiency, Adenosine monophosphate deaminase deficiency erythrocyte type, is linked to a metabolic disorder characterized by increased ATP levels in cells. Understanding the role of AMP deaminase 3 could open doors to potential therapeutic strategies.