Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9UIJ7
UPID:
KAD3_HUMAN
Alternative names:
Adenylate kinase 3; Adenylate kinase 3 alpha-like 1
Alternative UPACC:
Q9UIJ7; B4DP58; D3DRI1; E7ET30; Q5VYW6; Q9H576; Q9HC01; Q9NPB4
Background:
GTP:AMP phosphotransferase AK3, mitochondrial, also known as Adenylate kinase 3 and Adenylate kinase 3 alpha-like 1, plays a crucial role in cellular nucleotide homeostasis. It facilitates the interconversion of nucleoside phosphates, showcasing GTP:AMP phosphotransferase and ITP:AMP phosphotransferase activities, essential for maintaining cellular energy balance.
Therapeutic significance:
Understanding the role of GTP:AMP phosphotransferase AK3, mitochondrial could open doors to potential therapeutic strategies. Its pivotal function in nucleotide metabolism positions it as a key target for interventions in metabolic disorders.