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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

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

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.