AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for D(4) dopamine 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

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

Reaxense

upacc

P21917

UPID:

DRD4_HUMAN

Alternative names:

D(2C) dopamine receptor; Dopamine D4 receptor

Alternative UPACC:

P21917; B0M0J7; Q7Z7Q5; Q8NGM5

Background:

The D(4) dopamine receptor, also known as the D(2C) dopamine receptor and Dopamine D4 receptor, plays a pivotal role in neuronal signaling within the mesolimbic system, a brain area crucial for regulating emotions and complex behaviors. It is activated not only by dopamine but also by epinephrine, norepinephrine, and various synthetic agonists and drugs. This receptor's activation inhibits adenylyl cyclase through G protein signaling, impacting functions from circadian rhythm regulation in retinal ganglion cells to contrast sensitivity.

Therapeutic significance:

Understanding the role of the D(4) dopamine receptor could open doors to potential therapeutic strategies.

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