AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Kappa-type opioid receptor

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.

Our top-notch dedicated system is used to design specialised libraries for receptors.

 Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of 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

P41145

UPID:

OPRK_HUMAN

Alternative names:

-

Alternative UPACC:

P41145; E5RHC9; Q499G4

Background:

The Kappa-type opioid receptor, encoded by the gene with accession number P41145, is a G-protein coupled receptor. It binds endogenous alpha-neoendorphins and dynorphins, showing low affinity for beta-endorphins. It also interacts with synthetic opioids and salvinorin A, a psychoactive compound. Activation of this receptor inhibits adenylate cyclase, modulates ion conductance, and affects neurotransmitter release, playing a crucial role in pain perception, physical activity, salivation, arousal, and neuroendocrine functions.

Therapeutic significance:

Understanding the role of Kappa-type opioid receptor could open doors to potential therapeutic strategies.

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