Focused On-demand Library for Protein PALS1

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

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

Q8N3R9

UPID:

PALS1_HUMAN

Alternative names:

MAGUK p55 subfamily member 5; Membrane protein, palmitoylated 5; Protein associated with Lin-7 1

Alternative UPACC:

Q8N3R9; A1L380; Q7Z631; Q86T98; Q8N7I5; Q9H9Q0

Background:

Protein PALS1, also known as MAGUK p55 subfamily member 5, plays a crucial role in cellular architecture, including tight junction biogenesis and cell polarity in epithelial cells. It is essential for adherens junction biogenesis, vascular lumen formation, and neuronal progenitor cell survival. PALS1 is also involved in the modulation of GABA uptake and T-cell receptor-mediated activation of NF-kappa-B. Additionally, it interacts with human coronaviruses SARS-CoV and SARS-CoV-2, affecting cell polarity.

Therapeutic significance:

Understanding the role of Protein PALS1 could open doors to potential therapeutic strategies.