AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for P2X purinoceptor 2

Available from Reaxense
Predicted by Alphafold

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.

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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.

 Fig. 1. The sreening workflow of Receptor.AI

This process includes extensive molecular simulations of the receptor in its native membrane environment, along with ensemble virtual screening that accounts for its conformational mobility. In the case of dimeric or oligomeric receptors, the entire functional complex is modelled, identifying potential binding pockets on and between the subunits to encompass all possible mechanisms of action.

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

Q9UBL9

UPID:

P2RX2_HUMAN

Alternative names:

ATP receptor; Purinergic receptor

Alternative UPACC:

Q9UBL9; A6NGB4; A6NH93; A6NHC2; A6NHU3; A6NIG9; Q6V9R6; Q9NR37; Q9NR38; Q9UHD5; Q9UHD6; Q9UHD7; Q9Y637; Q9Y638

Background:

P2X purinoceptor 2, also known as ATP receptor or Purinergic receptor, plays a pivotal role in various cellular responses. This ion channel, activated by extracellular ATP, is crucial for excitatory postsynaptic responses in sensory neurons, neuromuscular junctions formation, hearing, taste perception, and peristalsis. In the inner ear, it is essential for sound transduction, auditory neurotransmission, outer hair cell electromotility, inner ear gap junctions, and potassium recycling.

Therapeutic significance:

The protein's involvement in Deafness, autosomal dominant, 41, a condition characterized by progressive sensorineural hearing loss, highlights its therapeutic potential. Understanding the role of P2X purinoceptor 2 could lead to novel treatments for hearing loss, especially those exacerbated by noise exposure.

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