Focused On-demand Library for Caveolin-3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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.

Our top-notch dedicated system is used to design specialised 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.

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

P56539

UPID:

CAV3_HUMAN

Alternative names:

M-caveolin

Alternative UPACC:

P56539; A8K777; Q3T1A4

Background:

Caveolin-3, also known as M-caveolin, plays a pivotal role in cellular mechanisms, acting as a scaffolding protein within caveolar membranes. It directly interacts with G-protein alpha subunits, regulating their activity, and influences voltage-gated potassium channels. Furthermore, Caveolin-3 is crucial in the sarcolemma repair mechanism of skeletal muscle and cardiomyocytes, facilitating rapid membrane resealing after mechanical stress.

Therapeutic significance:

Caveolin-3's involvement in diseases such as HyperCKmia, Rippling muscle disease 2, familial hypertrophic cardiomyopathy, Long QT syndrome 9, Sudden infant death syndrome, and Myopathy, distal, Tateyama type, underscores its therapeutic potential. Understanding the role of Caveolin-3 could open doors to potential therapeutic strategies for these conditions.