Focused On-demand Library for Voltage-dependent calcium channel subunit alpha-2/delta-4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

Q7Z3S7

UPID:

CA2D4_HUMAN

Alternative names:

Voltage-gated calcium channel subunit alpha-2/delta-4

Alternative UPACC:

Q7Z3S7; Q7Z3S8; Q86XZ5; Q8IZS9

Background:

The Voltage-dependent calcium channel subunit alpha-2/delta-4 plays a pivotal role in regulating calcium current density and the kinetics of calcium channel activation and inactivation. This protein, also known as Voltage-gated calcium channel subunit alpha-2/delta-4, is integral to the proper functioning of voltage-dependent calcium channels, which are crucial for the transmission of electrical signals in the nervous system and other physiological processes.

Therapeutic significance:

Linked to Retinal cone dystrophy 4, a condition marked by a gradual decline in visual acuity, the alpha-2/delta-4 subunit's dysfunction underscores its potential as a target for therapeutic intervention. Understanding the role of Voltage-dependent calcium channel subunit alpha-2/delta-4 could open doors to potential therapeutic strategies.