AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cysteine protease ATG4B

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9Y4P1

UPID:

ATG4B_HUMAN

Alternative names:

AUT-like 1 cysteine endopeptidase; Autophagy-related cysteine endopeptidase 1; Autophagy-related protein 4 homolog B

Alternative UPACC:

Q9Y4P1; B7WNK2; Q53NU4; Q6ZUV8; Q8WYM9; Q96K07; Q96K96; Q96SZ1; Q9Y2F2

Background:

Cysteine protease ATG4B, known for its pivotal role in autophagy, mediates the proteolytic activation and delipidation of ATG8 family proteins. This enzyme is essential for various autophagy processes, including canonical, non-canonical, and mitophagy. ATG4B's activity facilitates the conjugation of ATG8 proteins to phosphatidylethanolamine, crucial for autophagosome formation. Its unique ability to cleave and delipidate ATG8 proteins underscores its significance in cellular homeostasis.

Therapeutic significance:

Understanding the role of Cysteine protease ATG4B could open doors to potential therapeutic strategies.

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