Focused On-demand Library for Alpha-enolase

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
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, with alternative names such as Non-neural enolase and Plasminogen-binding protein, is a glycolytic enzyme essential for energy production. It also plays roles in various physiological processes including growth control, hypoxia tolerance, and immune response by stimulating immunoglobulin production. Its interaction with plasminogen on cell surfaces underscores its importance in the fibrinolytic system.

THERAPEUTIC SIGNIFICANCE:
Exploring the multifaceted roles of Alpha-enolase offers a promising avenue for the development of novel therapeutic approaches, especially in targeting its activities in tumor suppression and immune system modulation.

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