Focused On-demand Library for Leucine-rich glioma-inactivated protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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.

Our top-notch dedicated system is used to design specialised libraries for protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the target protein, both isolated and in complex with key partner proteins, complemented by ensemble virtual screening that accounts for conformational mobility in the unbound and complex states. The tentative binding sites are explored on the protein-protein interaction interface and at remote allosteric locations, encompassing the entire spectrum of potential mechanisms of action.

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

O95970

UPID:

LGI1_HUMAN

Alternative names:

Epitempin-1

Alternative UPACC:

O95970; A8K0Z1; B4E1S0; Q5W001; Q5W002; Q8NI23; Q96LF5

Background:

Leucine-rich glioma-inactivated protein 1, also known as Epitempin-1, plays a crucial role in regulating voltage-gated potassium channels, including KCNA1, KCNA4, and KCNAB1. It prevents channel closure by KCNAB1, enhancing synaptic transmission via AMPA-type glutamate receptors. Additionally, it suppresses MMP1/3 production through the PI3K/ERK pathway and may influence neuroblastoma cell survival.

Therapeutic significance:

Leucine-rich glioma-inactivated protein 1 is implicated in Epilepsy, familial temporal lobe, 1, a condition characterized by recurrent seizures originating from the temporal lobe. Understanding the role of this protein could open doors to potential therapeutic strategies for epilepsy and neuroblastoma.