AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Glutamate receptor ionotropic, NMDA 2A

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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 receptors.

 Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible mechanisms of action.

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

Reaxense

upacc

Q12879

UPID:

NMDE1_HUMAN

Alternative names:

Glutamate [NMDA] receptor subunit epsilon-1; N-methyl D-aspartate receptor subtype 2A

Alternative UPACC:

Q12879; O00669; Q17RZ6

Background:

The Glutamate receptor ionotropic, NMDA 2A, also known as Glutamate [NMDA] receptor subunit epsilon-1, plays a pivotal role in the NMDA receptor complexes. These complexes are crucial for high calcium permeability and voltage-dependent sensitivity to magnesium, essential for synaptic transmission and plasticity. The receptor's activation is contingent upon glutamate and glycine binding, facilitating critical brain functions such as learning.

Therapeutic significance:

Given its involvement in Epilepsy, focal, with speech disorder and with or without impaired intellectual development, understanding the Glutamate receptor ionotropic, NMDA 2A's role could unveil novel therapeutic strategies. This protein's genetic variants are linked to a spectrum of neurologic disorders, emphasizing its potential as a target for innovative treatments.

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