Focused On-demand Library for Glutamate receptor ionotropic, NMDA 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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

Q05586

UPID:

NMDZ1_HUMAN

Alternative names:

Glutamate [NMDA] receptor subunit zeta-1; N-methyl-D-aspartate receptor subunit NR1

Alternative UPACC:

Q05586; A6NLK7; A6NLR1; C9K0X1; P35437; Q12867; Q12868; Q5VSF3; Q5VSF4; Q5VSF5; Q5VSF6; Q5VSF7; Q5VSF8; Q9UPF8; Q9UPF9

Background:

The Glutamate receptor ionotropic, NMDA 1, also known as Glutamate [NMDA] receptor subunit zeta-1 or N-methyl-D-aspartate receptor subunit NR1, plays a pivotal role in neural communication. It is a component of NMDA receptor complexes, functioning as heterotetrameric, ligand-gated ion channels with high calcium permeability and voltage-dependent sensitivity to magnesium. Its activation is crucial for synaptic plasticity, a foundation of learning and memory.

Therapeutic significance:

This protein is linked to severe neurodevelopmental disorders and epileptic encephalopathies, characterized by intellectual disability, developmental delay, and seizures. Understanding the role of Glutamate receptor ionotropic, NMDA 1 could open doors to potential therapeutic strategies for these debilitating conditions.