Focused On-demand Library for Alpha-enolase

Focused On-demand Libraries - Reaxense Collaboration

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.