Focused On-demand Library for Killer cell immunoglobulin-like receptor 3DL1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P43629

UPID:

KI3L1_HUMAN

Alternative names:

CD158 antigen-like family member E; HLA-BW4-specific inhibitory NK cell receptor; Natural killer-associated transcript 3; p70 natural killer cell receptor clones CL-2/CL-11

Alternative UPACC:

P43629; O43473; Q14946; Q16541

Background:

The Killer cell immunoglobulin-like receptor 3DL1 (KIR3DL1), also known as CD158 antigen-like family member E, plays a pivotal role in the immune system. It functions as a receptor on natural killer (NK) cells for the HLA Bw4 allele, inhibiting NK cell activity and preventing cell lysis. This receptor is crucial for the delicate balance of immune response, ensuring that NK cells only target and destroy cells that are a genuine threat.

Therapeutic significance:

Understanding the role of Killer cell immunoglobulin-like receptor 3DL1 could open doors to potential therapeutic strategies. By modulating its activity, it may be possible to enhance or suppress the immune response in various conditions, offering new avenues for the treatment of diseases where the immune system plays a critical role.