Focused On-demand Library for Chloride intracellular channel protein 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.