Focused On-demand Library for Chloride intracellular channel protein 2

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

O15247

UPID:

CLIC2_HUMAN

Alternative names:

XAP121

Alternative UPACC:

O15247; A8K9S0; O15174; Q5JT80; Q8TCE3

Background:

Chloride intracellular channel protein 2, also known as XAP121, is a pivotal component in cellular processes, capable of forming chloride ion channels within membranes. Its activity is influenced by pH levels and is regulated by redox conditions, necessitating an oxidizing environment for membrane insertion. Additionally, it plays a role in modulating RYR2 activity and inhibiting calcium influx, showcasing its multifunctionality in cellular dynamics.

Therapeutic significance:

The protein is linked to Intellectual developmental disorder, X-linked, syndromic 32, marked by severe intellectual deficit and delayed psychomotor development. Understanding the role of Chloride intracellular channel protein 2 could open doors to potential therapeutic strategies for this syndrome, highlighting its importance in medical research.