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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P30520
UPID:
PURA2_HUMAN
Alternative names:
Adenylosuccinate synthetase, acidic isozyme; Adenylosuccinate synthetase, liver isozyme; IMP--aspartate ligase 2
Alternative UPACC:
P30520; B1AQM5; Q96EG7
Background:
Adenylosuccinate synthetase isozyme 2, known by alternative names such as Adenylosuccinate synthetase, acidic isozyme, and IMP--aspartate ligase 2, plays a pivotal role in purine nucleotide biosynthesis. It catalyzes the first committed step in the biosynthesis of AMP from IMP, crucial in both the de novo pathway and the salvage pathway.
Therapeutic significance:
Understanding the role of Adenylosuccinate synthetase isozyme 2 could open doors to potential therapeutic strategies. Its critical function in purine nucleotide biosynthesis makes it a key target for exploring novel treatments in metabolic disorders.