AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Voltage-dependent L-type calcium channel subunit beta-4

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the channel in its native membrane environment in open, closed and inactivated forms and the ensemble virtual screening accounting for conformational mobility in each of these states. Tentative binding pockets are considered inside the pore, in the gating region and in the allosteric locations to cover the whole spectrum of 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

Reaxense

upacc

O00305

UPID:

CACB4_HUMAN

Alternative names:

Calcium channel voltage-dependent subunit beta 4

Alternative UPACC:

O00305; A7BJ74; A8K1Y4; B4DG40; O60515; Q6B000; Q96L40

Background:

The Voltage-dependent L-type calcium channel subunit beta-4, also known as Calcium channel voltage-dependent subunit beta 4, plays a crucial role in the function of calcium channels. It enhances peak calcium current, modulates voltage dependencies, and influences G protein inhibition and membrane targeting of the alpha-1 subunit.

Therapeutic significance:

Linked to diseases such as Epilepsy, idiopathic generalized 9, Juvenile myoclonic epilepsy 6, and Episodic ataxia 5, this protein's variants affect disease susceptibility. Understanding its role could lead to novel therapeutic strategies for these neurological disorders.

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