Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
Our top-notch dedicated system is used to design specialised 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
P04075
UPID:
ALDOA_HUMAN
Alternative names:
Lung cancer antigen NY-LU-1; Muscle-type aldolase
Alternative UPACC:
P04075; B4DXI7; Q6FH76; Q6FI10; Q96B15; Q9BWD9; Q9UCN2
Background:
Fructose-bisphosphate aldolase A, also known as Muscle-type aldolase, plays a pivotal role in glycolysis and gluconeogenesis by catalyzing the conversion of beta-D-fructose 1,6-bisphosphate into two triose phosphates. Its alternative names include Lung cancer antigen NY-LU-1, highlighting its diverse biological significance.
Therapeutic significance:
Linked to Glycogen storage disease 12, a metabolic disorder characterized by increased hepatic glycogen and hemolytic anemia, Fructose-bisphosphate aldolase A's study could lead to innovative treatments for metabolic diseases.