AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Pejvakin

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 utilise our cutting-edge, exclusive workflow to develop 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.

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

Q0ZLH3

UPID:

PJVK_HUMAN

Alternative names:

Autosomal recessive deafness type 59 protein

Alternative UPACC:

Q0ZLH3; A0PK14; B9EJE2

Background:

Pejvakin, encoded by the gene implicated in autosomal recessive deafness type 59, plays a crucial role in auditory health. It is a peroxisome-associated protein vital for protecting auditory hair cells from noise-induced damage. Pejvakin regulates peroxisome proliferation in response to sound overstimulation and promotes the autophagic degradation of damaged peroxisomes, safeguarding cells against oxidative stress.

Therapeutic significance:

Given its pivotal role in preventing noise-induced hearing loss by managing oxidative stress in auditory cells, Pejvakin presents a promising target for therapeutic interventions in sensorineural hearing impairments like Deafness, autosomal recessive, 59. Understanding the role of Pejvakin could open doors to potential therapeutic strategies.

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