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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P13929
UPID:
ENOB_HUMAN
Alternative names:
2-phospho-D-glycerate hydro-lyase; Enolase 3; Muscle-specific enolase; Skeletal muscle enolase
Alternative UPACC:
P13929; B4DUI6; B4DUM6; D3DTL2; E7ENK8; Q96AE2
Background:
Beta-enolase, also known as Enolase 3, plays a pivotal role in glycolysis, catalyzing the conversion of 2-phosphoglycerate to phosphoenolpyruvate. Predominantly expressed in muscle tissues, it is crucial for striated muscle development and regeneration. Its alternative names include 2-phospho-D-glycerate hydro-lyase, Muscle-specific enolase, and Skeletal muscle enolase.
Therapeutic significance:
Beta-enolase's dysfunction is linked to Glycogen storage disease 13, a metabolic disorder characterized by exercise-induced myalgias, muscle weakness, and increased serum creatine kinase. Understanding the role of Beta-enolase could open doors to potential therapeutic strategies for this condition.