Focused On-demand Library for Voltage-dependent calcium channel gamma-2 subunit

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

Q9Y698

UPID:

CCG2_HUMAN

Alternative names:

Neuronal voltage-gated calcium channel gamma-2 subunit; Transmembrane AMPAR regulatory protein gamma-2

Alternative UPACC:

Q9Y698; Q2M1M1; Q5TGT3; Q9UGZ7

Background:

The Voltage-dependent calcium channel gamma-2 subunit, also known as Neuronal voltage-gated calcium channel gamma-2 subunit and Transmembrane AMPAR regulatory protein gamma-2, plays a crucial role in the nervous system. It regulates AMPA-selective glutamate receptors, influencing their cell membrane targeting and synaptic properties, and modulates their activation, deactivation, and desensitization rates. This protein is essential for stabilizing calcium channels in their closed state.

Therapeutic significance:

Linked to Intellectual developmental disorder, autosomal dominant 10, this protein's understanding could pave the way for innovative treatments. Its role in regulating glutamate receptors and calcium channels highlights its potential as a target for therapeutic intervention in intellectual developmental disorders.