Focused On-demand Library for cAMP-dependent protein kinase type I-alpha regulatory subunit

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.

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 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 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.

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

P10644

UPID:

KAP0_HUMAN

Alternative names:

Tissue-specific extinguisher 1

Alternative UPACC:

P10644; K7ER48; Q567S7

Background:

The cAMP-dependent protein kinase type I-alpha regulatory subunit, also known as Tissue-specific extinguisher 1, plays a pivotal role in cAMP signaling pathways. These pathways are crucial for regulating cellular responses to hormonal stimuli, thus influencing a wide range of biological processes.

Therapeutic significance:

Linked to diseases such as Carney complex 1, Intracardiac myxoma, Primary pigmented nodular adrenocortical disease 1, and Acrodysostosis 1, this protein's involvement in multiple neoplasia syndromes and endocrine abnormalities highlights its potential as a target for therapeutic intervention. Understanding its role could lead to novel treatments for these conditions.