Focused On-demand Library for NKG2-A/NKG2-B type II integral membrane protein

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.

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 employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P26715

UPID:

NKG2A_HUMAN

Alternative names:

CD159 antigen-like family member A; NK cell receptor A; NKG2-A/B-activating NK receptor

Alternative UPACC:

P26715

Background:

The NKG2-A/NKG2-B type II integral membrane protein, also known as CD159 antigen-like family member A, plays a pivotal role in immune regulation. It functions as an immune inhibitory receptor, distinguishing between self and non-self by recognizing non-classical MHC class Ib molecule HLA-E loaded with self-peptides. This mechanism enables cytotoxic cells to monitor healthy cells' MHC class I molecule expression, ensuring self-tolerance and preventing autoimmunity.

Therapeutic significance:

Understanding the role of NKG2-A/NKG2-B type II integral membrane protein could open doors to potential therapeutic strategies. Its involvement in immune regulation and self-nonself discrimination highlights its potential as a target for modulating immune responses in various diseases.