Focused On-demand Library for Voltage-dependent R-type calcium channel subunit alpha-1E

Focused On-demand Libraries - Receptor.AI 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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by 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 ion channels.


 

Fig. 1. The screening workflow of Receptor.AI

This process includes comprehensive molecular simulations of the ion channel in its native membrane environment, depicting its open, closed, and inactivated states, and ensemble virtual screening that accounts for conformational mobility in each state. Tentative binding pockets are investigated inside the pore, at the gating region, and in allosteric sites to cover the full spectrum of 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
Receptor.AI
 
UPACC
Q15878

UPID:
CAC1E_HUMAN

ALTERNATIVE NAMES:
Brain calcium channel II; Calcium channel, L type, alpha-1 polypeptide, isoform 6; Voltage-gated calcium channel subunit alpha Cav2.3

ALTERNATIVE UPACC:
Q15878; B1AM12; B1AM13; B1AM14; Q14580; Q14581

BACKGROUND:
Voltage-gated calcium channel subunit alpha Cav2.3, integral for calcium-dependent physiological processes such as hormone release and gene expression, is crucial for the modulation of neuronal firing patterns. This modulation is essential for information processing within the brain, highlighting the protein's significance in neural function.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Developmental and epileptic encephalopathy 69, a condition marked by profound developmental delays and refractory seizures, the study of Voltage-gated calcium channel subunit alpha Cav2.3 opens doors to potential therapeutic strategies. Targeting this protein could offer new avenues for managing and possibly treating this debilitating disease.

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