AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Reticulophagy regulator 1

Available from Reaxense
Predicted by Alphafold

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9H6L5

UPID:

RETR1_HUMAN

Alternative names:

Reticulophagy receptor 1

Alternative UPACC:

Q9H6L5; Q69YN8; Q9H6K6; Q9H764; Q9NXM8

Background:

Reticulophagy regulator 1, also known as Reticulophagy receptor 1, plays a pivotal role in cellular homeostasis. It is an ER-anchored autophagy regulator, facilitating ER delivery into lysosomes through autophagosomes. This protein is crucial for membrane remodeling, ER scission, and collagen quality control. Additionally, it supports the long-term survival of nociceptive and autonomic ganglion neurons.

Therapeutic significance:

Reticulophagy regulator 1 is linked to Neuropathy, hereditary sensory and autonomic, 2B (HSAN2B), a disorder characterized by sensory and autonomic abnormalities. Understanding the role of Reticulophagy regulator 1 could open doors to potential therapeutic strategies for HSAN2B, offering hope for patients suffering from this debilitating condition.

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