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.
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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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 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
P09972
UPID:
ALDOC_HUMAN
Alternative names:
Brain-type aldolase
Alternative UPACC:
P09972; B2R5R3; Q3SYL3; Q6FH94; Q6P0L5
Background:
Fructose-bisphosphate aldolase C, also known as Brain-type aldolase, plays a crucial role in glycolysis and gluconeogenesis, metabolic pathways essential for energy production and glucose synthesis, respectively. Its presence in the brain suggests a specialized function in neuronal energy metabolism.
Therapeutic significance:
Understanding the role of Fructose-bisphosphate aldolase C could open doors to potential therapeutic strategies. Its critical function in energy metabolism makes it a potential target for addressing metabolic disorders and enhancing brain health.