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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q7L266
UPID:
ASGL1_HUMAN
Alternative names:
Asparaginase-like protein 1; Beta-aspartyl-peptidase; Isoaspartyl dipeptidase; L-asparagine amidohydrolase
Alternative UPACC:
Q7L266; B2R7Q0; Q567Q4; Q6P1P0; Q8NI34; Q9H6F7
Background:
Isoaspartyl peptidase/L-asparaginase, known by alternative names such as Asparaginase-like protein 1 and Beta-aspartyl-peptidase, exhibits crucial enzymatic activities. It is involved in the production of L-aspartate, an excitatory neurotransmitter in the brain, and shows high activity with various beta-aspartyl dipeptides and their esters, including aspartame.
Therapeutic significance:
Understanding the role of Isoaspartyl peptidase/L-asparaginase could open doors to potential therapeutic strategies.