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

Focused On-demand Libraries - Reaxense 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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.