AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cysteine and glycine-rich protein 3

Available from Reaxense
Predicted by Alphafold

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

P50461

UPID:

CSRP3_HUMAN

Alternative names:

Cardiac LIM protein; Cysteine-rich protein 3; LIM domain protein, cardiac; Muscle LIM protein

Alternative UPACC:

P50461; Q9P131; S4S7M7

Background:

Cysteine and glycine-rich protein 3, also known as Cardiac LIM protein, plays a pivotal role in myogenesis and cardiomyocyte structure. It acts as a cofactor for myogenic transcription factors, enhances DNA-binding activity, and is crucial in cytosolic structure organization in cardiomyocytes. It also interacts with actin filaments, promoting their assembly and protecting them from depolymerization.

Therapeutic significance:

Given its involvement in dilated cardiomyopathy and familial hypertrophic cardiomyopathy, understanding the role of Cysteine and glycine-rich protein 3 could lead to novel therapeutic strategies for these heart disorders. Its function in myogenesis and cardiomyocyte integrity suggests potential targets for drug development.

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