AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for P2Y purinoceptor 12

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

We employ our advanced, specialised process to create targeted 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.

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

Q9H244

UPID:

P2Y12_HUMAN

Alternative names:

ADP-glucose receptor; P2T(AC); P2Y(AC); P2Y(cyc); P2Y12 platelet ADP receptor; SP1999

Alternative UPACC:

Q9H244; D3DNJ5; Q546J7

Background:

P2Y purinoceptor 12, also known as P2Y12 platelet ADP receptor, plays a crucial role in the regulation of platelet aggregation and blood coagulation. This receptor, activated by ADP and ATP, inhibits the adenylyl cyclase second messenger system, essential for normal platelet function.

Therapeutic significance:

Mutations in P2Y purinoceptor 12 are linked to Bleeding disorder, platelet-type, 8, characterized by impaired platelet response and excessive bleeding. Targeting P2Y12 receptor offers a promising approach for managing this condition and enhancing hemostasis.

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