Focused On-demand Library for Glutamate receptor ionotropic, kainate 2

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 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.

We use our state-of-the-art dedicated workflow for designing focused libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of 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

Q13002

UPID:

GRIK2_HUMAN

Alternative names:

Excitatory amino acid receptor 4; Glutamate receptor 6

Alternative UPACC:

Q13002; A6NMY9; B5MCV0; D7RWZ3; D7RWZ4; D7RWZ5; D7RWZ6; D7RWZ7; Q8WWS1; Q96KS6; Q96KS7; Q96KS8

Background:

Glutamate receptor ionotropic, kainate 2, also known as Excitatory amino acid receptor 4 or Glutamate receptor 6, plays a pivotal role in the central nervous system as an ionotropic glutamate receptor. It transforms chemical signals into electrical impulses through the binding of L-glutamate, facilitating rapid communication between neurons. Additionally, it exhibits thermoreceptor activity, sensitive to cold temperatures, particularly in dorsal root ganglion neurons.

Therapeutic significance:

This protein is implicated in Intellectual developmental disorder, autosomal recessive 6, and Neurodevelopmental disorder with impaired language and ataxia, both characterized by developmental delays and intellectual challenges. Understanding the role of Glutamate receptor ionotropic, kainate 2 could open doors to potential therapeutic strategies for these neurological conditions.