AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Voltage-dependent L-type calcium channel subunit alpha-1C

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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 our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

 Fig. 1. The sreening workflow of Receptor.AI

It features detailed molecular simulations of the ion channel in its native membrane environment across its open, closed, and inactivated forms, coupled with ensemble virtual screening considering conformational mobility in these states. Potential binding sites are explored within the pore, in the gating region, and at allosteric locations to encompass all potential 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

Reaxense

upacc

Q13936

UPID:

CAC1C_HUMAN

Alternative names:

Calcium channel, L type, alpha-1 polypeptide, isoform 1, cardiac muscle; Voltage-gated calcium channel subunit alpha Cav1.2

Alternative UPACC:

Q13936; B2RUT3; E9PDJ0; Q13917; Q13918; Q13919; Q13920; Q13921; Q13922; Q13923; Q13924; Q13925; Q13926; Q13927; Q13928; Q13929; Q13930; Q13932; Q13933; Q14743; Q14744; Q15877; Q4VMI7; Q4VMI8; Q4VMI9; Q6PKM7; Q8N6C0; Q99025; Q99241; Q99875

Background:

The Voltage-dependent L-type calcium channel subunit alpha-1C, also known as Cav1.2, plays a pivotal role in cardiac and smooth muscle function. It facilitates the influx of calcium ions, essential for muscle contraction and heart rhythm regulation. Additionally, it serves as a receptor for Influenzavirus, highlighting its significance in viral entry into lung tissues.

Therapeutic significance:

Given its involvement in Timothy syndrome, Brugada syndrome 3, Long QT syndrome 8, and neurodevelopmental disorders, Cav1.2 represents a critical target for therapeutic intervention. Understanding its function could lead to breakthroughs in treating heart diseases and developmental disorders.

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