Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


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


 

Fig. 1. The screening 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 is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
P41146

UPID:
OPRX_HUMAN

ALTERNATIVE NAMES:
Kappa-type 3 opioid receptor; Orphanin FQ receptor

ALTERNATIVE UPACC:
P41146; Q8TD34; Q8WYH9; Q9H4K4

BACKGROUND:
The Nociceptin receptor, identified by its unique UPACC code P41146, functions as a receptor for nociceptin, playing a crucial role in pain modulation and locomotor activity regulation. Through its interaction with G proteins, it modulates signaling pathways that decrease adenylate cyclase activity and calcium channel activity, while also facilitating the activation of MAP kinases. This receptor's involvement in the perception of pain and modulation of locomotor activity underscores its significance in neurophysiological processes.

THERAPEUTIC SIGNIFICANCE:
Exploring the Nociceptin receptor's function offers a promising avenue for developing novel therapeutic approaches aimed at alleviating pain and improving mobility.

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