Focused On-demand Library for Ubiquitin-like protein ATG12

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted 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

O94817

UPID:

ATG12_HUMAN

Alternative names:

Autophagy-related protein 12

Alternative UPACC:

O94817; Q6PJV2

Background:

Ubiquitin-like protein ATG12 plays a pivotal role in autophagy, facilitating vesicle formation through its conjugation with ATG5. This process, essential for cellular homeostasis, involves a series of enzymes including ATG7 and ATG10, mimicking the ubiquitin system. ATG12-ATG5's function extends to acting as an E3-like enzyme, crucial for lipidation of ATG8 family proteins and their vesicular association.

Therapeutic significance:

Understanding the role of Ubiquitin-like protein ATG12 could open doors to potential therapeutic strategies. Its involvement in autophagy and response to microbial infections, such as impairing type I IFN production in VSV infection and facilitating HCV replication initiation, highlights its potential as a target in antiviral therapy development.