AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Voltage-dependent calcium channel subunit alpha-2/delta-2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 high-tech, dedicated method is applied to construct targeted libraries for ion channels.

 Fig. 1. The sreening 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.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9NY47

UPID:

CA2D2_HUMAN

Alternative names:

Voltage-gated calcium channel subunit alpha-2/delta-2

Alternative UPACC:

Q9NY47; A7MD15; Q9NY48; Q9UEW0; Q9Y268

Background:

The Voltage-dependent calcium channel subunit alpha-2/delta-2 plays a pivotal role in regulating calcium current density and the activation/inactivation kinetics of calcium channels. It serves as a regulatory subunit for various types of calcium channels, including P/Q-type, N-type, L-type, and potentially T-type, influencing cellular processes through modulation of calcium influx.

Therapeutic significance:

Linked to Cerebellar atrophy with seizures and variable developmental delay, a neurologic disorder characterized by cerebellar ataxia, seizures, and developmental delays, the protein's involvement in this disease underscores its potential as a target for therapeutic intervention. Understanding the role of Voltage-dependent calcium channel subunit alpha-2/delta-2 could open doors to potential therapeutic strategies.

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