AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Voltage-dependent calcium channel subunit alpha-2/delta-1

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.

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.

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 sreening workflow of Receptor.AI

This includes extensive molecular simulations of the ion channel in its native membrane environment, in open, closed, and inactivated forms, paired with ensemble virtual screening that factors in conformational mobility in each state. Tentative binding pockets are considered in the pore, the gating region, and allosteric areas to capture the full range of 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

P54289

UPID:

CA2D1_HUMAN

Alternative names:

Voltage-gated calcium channel subunit alpha-2/delta-1

Alternative UPACC:

P54289; Q17R45; Q9UD80; Q9UD81; Q9UD82

Background:

The Voltage-dependent calcium channel subunit alpha-2/delta-1, also known as Voltage-gated calcium channel subunit alpha-2/delta-1, plays a pivotal role in regulating calcium current density and the activation/inactivation kinetics of calcium channels. Its involvement in excitation-contraction coupling underscores its importance in cellular signaling and muscle contraction.

Therapeutic significance:

Linked to Developmental and epileptic encephalopathy 110, a condition characterized by severe developmental delay, hypotonia, and early-onset seizures, the alpha-2/delta-1 subunit's dysfunction highlights its potential as a therapeutic target. Understanding its role could lead to novel treatments for this debilitating disease.

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