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.
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.
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
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Several key aspects differentiate our library:
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.