Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P31321
UPID:
KAP1_HUMAN
Alternative names:
-
Alternative UPACC:
P31321; Q8N422
Background:
The cAMP-dependent protein kinase type I-beta regulatory subunit plays a pivotal role in cAMP signaling pathways, which are crucial for numerous cellular processes. This protein acts as a regulatory subunit for cAMP-dependent protein kinases, modulating their activity in response to cellular levels of cAMP.
Therapeutic significance:
Linked to Marbach-Schaaf neurodevelopmental syndrome, this protein's dysfunction manifests in developmental delays, movement disorders, and other neurological symptoms. Understanding its role could lead to targeted therapies for this syndrome.