Focused On-demand Library for Cilia- and flagella-associated protein 53

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

Our high-tech, dedicated method is applied to construct 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q96M91

UPID:

CFA53_HUMAN

Alternative names:

Coiled-coil domain-containing protein 11

Alternative UPACC:

Q96M91; B4DXT1

Background:

Cilia- and flagella-associated protein 53, also known as Coiled-coil domain-containing protein 11, plays a pivotal role in the structure and function of motile cilia. This protein is a part of the microtubule inner protein (MIP) complex within dynein-decorated doublet microtubules (DMTs) in the cilia axoneme, essential for the beating of motile cilia. Its activity is crucial for the establishment of organ laterality during embryogenesis, influencing the correct placement of thoracoabdominal organs.

Therapeutic significance:

Given its involvement in Heterotaxy, visceral, 6, autosomal, a disorder characterized by severe complex cardiac malformations and disrupted organ placement, understanding the role of Cilia- and flagella-associated protein 53 could open doors to potential therapeutic strategies. Targeting this protein's function might offer new avenues for correcting the developmental anomalies associated with this condition.