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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 employ our advanced, specialised process to create targeted 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.
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.