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 utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:
partner
Reaxense
upacc
O00757
UPID:
F16P2_HUMAN
Alternative names:
D-fructose-1,6-bisphosphate 1-phosphohydrolase 2; Muscle FBPase
Alternative UPACC:
O00757; Q17R39; Q6FI53
Background:
Fructose-1,6-bisphosphatase isozyme 2, also known as Muscle FBPase, plays a pivotal role in carbohydrate metabolism by catalyzing the hydrolysis of fructose 1,6-bisphosphate to fructose 6-phosphate. This enzyme is essential for glycogen synthesis from carbohydrate precursors, such as lactate, and operates in the presence of divalent cations.
Therapeutic significance:
The enzyme's link to Leukodystrophy, childhood-onset, remitting, a disorder characterized by loss of developmental abilities and demyelination, underscores its therapeutic significance. Understanding the role of Fructose-1,6-bisphosphatase isozyme 2 could open doors to potential therapeutic strategies for this and related neurological conditions.