Focused On-demand Library for Leucine-rich repeat protein SHOC-2

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.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

Q9UQ13

UPID:

SHOC2_HUMAN

Alternative names:

Protein soc-2 homolog; Protein sur-8 homolog

Alternative UPACC:

Q9UQ13; A8K9W8; B3KR23; O76063; Q5VZS8; Q5VZS9

Background:

Leucine-rich repeat protein SHOC-2, also known as Protein soc-2 homolog and Protein sur-8 homolog, plays a pivotal role in cellular signaling. It functions as a regulatory subunit of protein phosphatase 1 (PP1c), acting as an effector for M-Ras/MRAS and participating in the activation of the MAPK pathway. Specifically, it targets PP1c to dephosphorylate the 'Ser-259' inhibitory site of RAF1 kinase, thereby stimulating RAF1 activity at specialized signaling complexes.

Therapeutic significance:

Leucine-rich repeat protein SHOC-2 is implicated in Noonan syndrome-like disorder with loose anagen hair 1, a condition characterized by distinctive facial features and hair anomalies. Understanding the role of Leucine-rich repeat protein SHOC-2 could open doors to potential therapeutic strategies for this syndrome and related disorders.