Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P06733
UPID:
ENOA_HUMAN
Alternative names:
2-phospho-D-glycerate hydro-lyase; C-myc promoter-binding protein; Enolase 1; MBP-1; MPB-1; Non-neural enolase; Phosphopyruvate hydratase; Plasminogen-binding protein
Alternative UPACC:
P06733; B2RD59; P22712; Q16704; Q4TUS4; Q53FT9; Q53HR3; Q658M5; Q6GMP2; Q71V37; Q7Z3V6; Q8WU71; Q96GV1; Q9BT62; Q9UCH6; Q9UM55
Background:
Alpha-enolase, also known as Enolase 1, plays a pivotal role in glycolysis, catalyzing the conversion of 2-phosphoglycerate to phosphoenolpyruvate. Beyond its metabolic function, it is involved in growth control, hypoxia tolerance, allergic responses, and serves as a receptor and activator of plasminogen on cell surfaces, facilitating fibrinolysis. Its ability to bind the myc promoter and act as a transcriptional repressor highlights its potential as a tumor suppressor.
Therapeutic significance:
Understanding the role of Alpha-enolase could open doors to potential therapeutic strategies, particularly in cancer, where its function as a tumor suppressor and its involvement in metabolic pathways could be exploited.