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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P23109
UPID:
AMPD1_HUMAN
Alternative names:
AMP deaminase isoform M; Myoadenylate deaminase
Alternative UPACC:
P23109; A8K5N4; B2RAM1; F2Z3B3; Q5TF00; Q5TF02
Background:
AMP deaminase 1, also known as myoadenylate deaminase, plays a pivotal role in energy metabolism. This enzyme, encoded by the gene with the accession number P23109, is crucial for the deamination of adenosine monophosphate (AMP) to inosine monophosphate (IMP), a process vital for maintaining cellular energy balance.
Therapeutic significance:
The deficiency of AMP deaminase 1 leads to a metabolic disorder known as Myopathy due to myoadenylate deaminase deficiency. This condition manifests through exercise-induced muscle aches, cramps, and early fatigue, highlighting the enzyme's critical role in muscle energy metabolism. Targeting AMP deaminase 1 could offer therapeutic strategies for managing this myopathy, emphasizing the importance of understanding its function and regulation.