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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8N142
UPID:
PURA1_HUMAN
Alternative names:
Adenylosuccinate synthetase, basic isozyme; Adenylosuccinate synthetase, muscle isozyme; Adenylosuccinate synthetase-like 1; IMP--aspartate ligase 1
Alternative UPACC:
Q8N142; Q86TT6; Q8N714
Background:
Adenylosuccinate synthetase isozyme 1 plays a pivotal role in the purine nucleotide cycle, crucial for regulating nucleotide levels across tissues. It catalyzes the conversion of IMP to AMP, impacting glycolysis and ammoniagenesis. Known by various names including Adenylosuccinate synthetase, muscle isozyme, it underscores the enzyme's significance in muscle function.
Therapeutic significance:
Linked to Myopathy, distal, 5, a muscular disorder marked by progressive weakness and atrophy, particularly in the lower limbs, understanding Adenylosuccinate synthetase isozyme 1's function could unveil new therapeutic avenues. Its involvement suggests potential strategies for addressing muscle degeneration.