Focused On-demand Library for ADP-ribosylation factor-like protein 4A

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.

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 utilise our cutting-edge, exclusive workflow to develop focused 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

P40617

UPID:

ARL4A_HUMAN

Alternative names:

Alternative UPACC:

P40617; A4D119; P80418; Q49AF5

Background:

ADP-ribosylation factor-like protein 4A is a pivotal small GTP-binding protein, transitioning between GDP-bound inactive and GTP-bound active forms. This cycling is finely tuned by guanine nucleotide exchange factors (GEF) and GTPase-activating proteins (GAP). Unlike other GTP-binding proteins, it does not activate the cholera toxin catalytic subunit but is essential in recruiting CYTH1, CYTH2, CYTH3, and CYTH4 to the plasma membrane in its GDP-bound state.

Therapeutic significance:

Understanding the role of ADP-ribosylation factor-like protein 4A could open doors to potential therapeutic strategies. Its intricate regulation and interaction with cellular components underscore its potential as a target in drug discovery, aiming to modulate its activity for therapeutic benefits.