Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 utilise our cutting-edge, exclusive workflow to develop 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 stands out due to several important features:
partner
Reaxense
upacc
P55263
UPID:
ADK_HUMAN
Alternative names:
Adenosine 5'-phosphotransferase
Alternative UPACC:
P55263; B7Z783; B7Z800; O00741; O00742; Q16710; Q5JQ10; Q5JQ11; Q9BTN2
Background:
Adenosine kinase, also known as Adenosine 5'-phosphotransferase, plays a crucial role in cellular metabolism by catalyzing the phosphorylation of adenosine to AMP. This enzyme is pivotal in maintaining the balance of adenosine and adenine nucleotides within the cell, impacting various physiological processes.
Therapeutic significance:
The enzyme's dysfunction is linked to Hypermethioninemia due to adenosine kinase deficiency, a metabolic disorder marked by developmental delays, seizures, and specific biochemical anomalies. Targeting adenosine kinase could offer a novel approach to treating this condition, highlighting its therapeutic potential.