AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Gamma-enolase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

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 stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P09104

UPID:

ENOG_HUMAN

Alternative names:

2-phospho-D-glycerate hydro-lyase; Enolase 2; Neural enolase; Neuron-specific enolase

Alternative UPACC:

P09104; B7Z2X9; Q96J33

Background:

Gamma-enolase, also known as Neuron-specific enolase, plays a pivotal role in the central nervous system's neuronal development. It is recognized for its neurotrophic and neuroprotective properties, binding to neocortical neurons in a calcium-dependent manner to promote cell survival. This protein, alternatively named 2-phospho-D-glycerate hydro-lyase, Enolase 2, and Neural enolase, is essential for neuronal health and function.

Therapeutic significance:

Understanding the role of Gamma-enolase could open doors to potential therapeutic strategies. Its ability to support neuron survival suggests its significance in neurodegenerative disease research and therapy development, offering a promising avenue for future investigations.

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